Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20580474

Cc1nc(Nc2ncc(-c3cccnc3)s2)cc(N2CCN(CCO)CC2)n1.Cl

nearest known ligand 0.84

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 8)

geneUniProtsupporting neighboursconfidence
KIT known ✓ P10721 15/20 0.84
FLT3 known ✓ P36888 15/20 0.84
SRC known ✓ P12931 3/20 0.83
NTRK1 known ✓ P04629 2/20 0.68
ABL1 known ✓ P00519 4/20 0.62
SIK1 P57059 3/20 0.62
SIK2 Q9H0K1 3/20 0.62
SIK3 Q9Y2K2 3/20 0.62

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
SCHEMBL21028278 0.99 SRC (0.85) KITFLT3SRCNTRK1ABL1
Hydrochloric Acid SCHEMBL20580367 0.91 FLT3 (0.84) KITFLT3SRCNTRK1ABL1
Hydrochloric Acid SCHEMBL20580472 0.91 KIT (1.00) KITFLT3SRCNTRK1ABL1
SCHEMBL21028277 0.90 FLT3 (0.83) KITFLT3SRCNTRK1ABL1
SCHEMBL21028276 0.90 KIT (1.00) KITFLT3SRCNTRK1ABL1
Hydrochloric Acid SCHEMBL20580454 0.90 FLT3 (1.00) KITFLT3SRCNTRK1
SCHEMBL21028273 0.89 FLT3 (1.00) KITFLT3SRCNTRK1
SCHEMBL20632608 0.85 SRC (0.81) KITFLT3SRCNTRK1ABL1
Hydrochloric Acid SCHEMBL20580885 0.82 KIT (1.00) KITFLT3SRCNTRK1
Hydrochloric Acid SCHEMBL20580460 0.81 FLT3 (0.83) KITFLT3SRCNTRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638237-B1 AMINOTHIAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RES INST (TW) 2023-04-19 EP disclosed
EP-3638237-A1 AMINOTHIAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS Shih, Chuan (US) 2020-04-22 EP disclosed
CN-110831596-A Aminothiazole compounds as protein kinase inhibitors 财团法人卫生研究院 2020-02-21 CN disclosed
US-10300061-B2 Aminothiazole compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2019-05-28 US disclosed
WO-2018231910-A1 AMINOTHIAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-12-20 WO disclosed
US-20180353509-A1 AMINOTHIAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RES INST (TW) 2018-12-13 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 (2 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-20180353509-A1 AMINOTHIAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS ABL1, ERBB2, CSNK1E KIT 611/4885FLT3 207/4885SRC 7/4885
US-10300061-B2 Aminothiazole compounds as protein kinase inhibitors ABL1, ERBB2, CSNK1E KIT 611/4885FLT3 207/4885SRC 7/4885

“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.