Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16320209

Cl.NNc1cc(Br)c(Cl)cc1C(=O)O

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.38
GAA known ✓ P10253 1/20 0.38
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CISD1 Q9NZ45 9/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA3 P07451 3/20 0.38
CA4 P22748 3/20 0.38
CA6 P23280 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA13 Q8N1Q1 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA5B Q9Y2D0 3/20 0.38

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
SCHEMBL16364772 0.98 MAPT (0.46) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL19735732 0.84 KDM4E (0.41) MAPTKDM4EALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL21988698 0.79 MAPT (0.45) MAPTKDM4EALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL16320258 0.79 MEN1 (0.42) MAPTKDM4EALDH1A1NPC1POLB
Hydrochloric Acid SCHEMBL16320375 0.79 STING1 (0.43) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL29144739 0.78 KDM4E (0.57) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL16364567 0.77 MEN1 (0.40) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL22045554 0.77 MAPT (0.46) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL16364784 0.77 STING1 (0.43) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL30240184 0.77 STING1 (0.43) MAPTKDM4EALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-06-22 US disclosed
US-11623921-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-11 US disclosed
CN-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed
US-11053197-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
US-20210107891-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-04-15 US disclosed
CN-107108583-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2020-11-13 CN disclosed
US-20200255377-A1 CARBAZOLE DERIVATIVES Organization Name: BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-13 US disclosed
US-10676434-B2 Carbazole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 US disclosed
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
EP-3209651-B9 CARBAZOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2020-05-20 EP disclosed
US-9688629-B2 Indole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-27 US disclosed
EP-3013814-B1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-14 EP disclosed
US-20170066740-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-03-09 US disclosed
US-20160194338-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLES CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2016-07-07 US disclosed
US-9334290-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-10 US disclosed
EP-3013814-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-04 EP disclosed
US-20160115126-A1 INDOLE CARBOXAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2016-04-28 US disclosed
WO-2014210085-A9 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-23 WO disclosed
WO-2014210085-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-31 WO disclosed
US-20140378475-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2014-12-25 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 (11 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-20140378475-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 CA2 816/4885GAA 4069/4885MAPT 4755/4885
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885MAPT 4578/4885
US-10676434-B2 Carbazole derivatives BTK, SYK, JAK2 CA2 1487/4885GAA 3175/4885MAPT 4523/4885
US-20170066740-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885MAPT 4578/4885
US-11623921-B2 Indole carboxamide compounds BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885MAPT 4578/4885
US-20160194338-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLES CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 CA2 951/4885GAA 3940/4885MAPT 4737/4885
US-20160115126-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885MAPT 4578/4885
US-20210107891-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885MAPT 4578/4885
US-11053197-B2 Carbazole derivatives BTK, SYK, JAK2 CA2 1487/4885GAA 3175/4885MAPT 4523/4885
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885MAPT 4578/4885
US-20200255377-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 CA2 1487/4885GAA 3175/4885MAPT 4523/4885

“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.