Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17092991

COc1ccc(-n2c(=O)c3c(CN(C)C)c(-c4ccc([N+](=O)[O-])cc4)sc3n(Cc3c(F)cccc3F)c2=O)nn1.Cl

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GNRHR known ✓ P30968 20/20 0.73
KCNH2 known ✓ Q12809 10/20 0.72

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL30174366 1.00 GNRHR (0.73) GNRHRKCNH2
SCHEMBL17092964 0.99 GNRHR (0.74) GNRHRKCNH2
SCHEMBL29605045 0.99 GNRHR (0.74) GNRHRKCNH2
Hydrochloric Acid SCHEMBL31418380 0.93 GNRHR (0.63) GNRHRKCNH2
SCHEMBL30461687 0.92 GNRHR (0.73) GNRHRKCNH2
SCHEMBL30461571 0.92 GNRHR (0.69) GNRHRKCNH2
SCHEMBL30461575 0.91 GNRHR (0.68) GNRHRKCNH2
SCHEMBL28490029 0.91 GNRHR (0.68) GNRHRKCNH2
SCHEMBL29966967 0.90 GNRHR (0.76) GNRHRKCNH2
SCHEMBL29385627 0.90 GNRHR (0.61) GNRHRKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12325714-B2 Compositions of thienopyrimidine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-06-10 US disclosed
US-20250051353-A1 COMPOSITIONS OF THIENOPYRIMIDINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-02-13 US disclosed
US-12180224-B2 Thienopyrimidine derivatives and production methods thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-31 US disclosed
US-11795178-B2 Compositions of thienopyrimidine derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-24 US disclosed
US-11731983-B2 Production method of thienopyrimidine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-22 US disclosed
US-20230212184-A1 THIENOPYRIMIDINE DERIVATIVES AND PRODUCTION METHODS THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-07-06 US disclosed
EP-4119564-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2023-01-18 EP disclosed
US-20220204525-A1 COMPOSITIONS OF THIENOPYRIMIDINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-30 US disclosed
US-20220135585-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-05-05 US disclosed
EP-3415517-B1 CRYSTALLINE FORM OF 1-(4-1-(2,6-DIFLUOROBENZYL)-5-DIMETHYLAMINOMETHYL-3-(6-METHOXYPYRIDAZIN-3-YL)-2,4-DIOXO-1,2,3,4-TETRAHYDROTHIENO(2,3-D)-PYRIMIDIN-6YL)PHENYL)-3-METHOXYUREA TAKEDA PHARMACEUTICALS CO (JP) 2022-04-20 EP disclosed
US-20200361953-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-19 US disclosed
US-10544160-B2 Production method of thienopyrimidine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-01-28 US disclosed
US-10464945-B2 Crystalline forms of thienopyrimidine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-11-05 US disclosed
US-20190055261-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-21 US disclosed
EP-3415517-A1 CRYSTALLINE FORM OF 1-(4-1-(2,6-DIFLUOROBENZYL)-5-DIMETHYLAMINOMETHYL-3-(6-METHOXYPYRIDAZIN-3-YL)-2,4-DIOXO-1,2,3,4-TETRAHYDROTHIENO(2,3-D)-PYRIMIDIN-6YL)PHENYL)-3-METHOXYUREA Takeda Pharmaceutical Company Limited (JP) 2018-12-19 EP disclosed
US-10150778-B2 Production method of thienopyrimidine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-12-11 US disclosed
US-20180319816-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-08 US disclosed
US-9758528-B2 Production method of thienopyrimidine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-12 US disclosed
US-20170210753-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-27 US disclosed
US-20150266891-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11795178-B2 Compositions of thienopyrimidine derivatives GNRHR, KISS1R, MC4R GNRHR 1/4885KCNH2 962/4885
US-20190055261-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1265/4885
US-10464945-B2 Crystalline forms of thienopyrimidine derivative GNRHR, NR5A1, KISS1R GNRHR 1/4885KCNH2 1285/4885
US-20200361953-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1356/4885
US-20250051353-A1 COMPOSITIONS OF THIENOPYRIMIDINE DERIVATIVES GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1167/4885
US-20220135585-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1265/4885
US-20150266891-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1246/4885
US-20220204525-A1 COMPOSITIONS OF THIENOPYRIMIDINE DERIVATIVES GNRHR, KISS1R, MC4R GNRHR 1/4885KCNH2 962/4885
US-12180224-B2 Thienopyrimidine derivatives and production methods thereof GNRHR, KISS1R, MC4R GNRHR 1/4885KCNH2 1017/4885
US-10544160-B2 Production method of thienopyrimidine derivative GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1265/4885
US-10150778-B2 Production method of thienopyrimidine derivative GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1265/4885
US-20230212184-A1 THIENOPYRIMIDINE DERIVATIVES AND PRODUCTION METHODS THEREOF GNRHR, KISS1R, MC4R GNRHR 1/4885KCNH2 1017/4885
US-11731983-B2 Production method of thienopyrimidine derivative GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1265/4885
US-20170210753-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1265/4885
US-20180319816-A1 PRODUCTION METHOD OF THIENOPYRIMIDINE DERIVATIVE GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1265/4885
US-12325714-B2 Compositions of thienopyrimidine derivatives GNRHR, KISS1R, NR5A1 GNRHR 1/4885KCNH2 1167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.