Hydrochloric Acid

Hydrochloric Acid

SCHEMBL145407

Cl.NNc1cc(Br)ccc1C(=O)O

nearest known ligand 0.53

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
GLA known ✓ P06280 1/20 0.52
GRIN1 known ✓ Q05586 1/20 0.42
GRIN2A known ✓ Q12879 1/20 0.42
GRIN2B known ✓ Q13224 1/20 0.42
GRIN2C known ✓ Q14957 1/20 0.42
CA2 known ✓ P00918 1/20 0.42
ACLY P53396 1/20 0.53
KDM4E B2RXH2 2/20 0.52
KCNK2 O95069 1/20 0.47
KCNK10 P57789 1/20 0.47
APEX1 P27695 1/20 0.45
GRIK1 P39086 4/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DHODH Q02127 1/20 0.43
GPR35 Q9HC97 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL16632333 0.98 ACLY (0.54) ACLYKDM4EGLAKCNK2KCNK10
Hydrochloric Acid SCHEMBL15054390 0.87 APEX1 (0.58) KDM4EGLAKCNK2KCNK10APEX1
Hydrochloric Acid SCHEMBL143713 0.87 APEX1 (0.58) KDM4EGLAKCNK2KCNK10APEX1
SCHEMBL109573 0.85 KDM4E (0.60) KDM4EGLAKCNK2KCNK10APEX1
SCHEMBL9942872 0.81 ACLY (0.55) ACLYKDM4EGLAKCNK2KCNK10
Hydrochloric Acid SCHEMBL28205022 0.79 MAPT (0.58) KDM4EGRIK1AKR1C3AKR1C2TDP1
SCHEMBL4152400 0.79 ACLY (0.54) ACLYKDM4EGLAKCNK2KCNK10
SCHEMBL8367997 0.79 APEX1 (0.54) ACLYKDM4EGLAKCNK2KCNK10
Hydrochloric Acid SCHEMBL11604663 0.78 CLCN2 (0.50) ACLYGRIK1AKR1C3AKR1C2MEN1
Hydrochloric Acid SCHEMBL28054079 0.78 KEAP1 (0.52) KDM4EKCNK2GRIK1MEN1KMT2A

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 45 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-115667218-A Kinase inhibitors GB005股份有限公司 2023-01-31 CN 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
WO-2014210087-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-31 WO disclosed
CN-102325753-B Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2014-09-10 CN disclosed
EP-2391602-B1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-12-04 EP disclosed
US-8362065-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
CN-102325753-A Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN disclosed
US-8084620-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-27 US disclosed
EP-2391602-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-12-07 EP disclosed
WO-2010080481-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 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 (9 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-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 GLA 4498/4885GRIN1 981/4885GRIN2A 1167/4885
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 GLA 3087/4885GRIN1 790/4885GRIN2A 1993/4885
US-10676434-B2 Carbazole derivatives BTK, SYK, JAK2 GLA 3178/4885GRIN1 1984/4885GRIN2A 2616/4885
US-11623921-B2 Indole carboxamide compounds BTK, JAK2, BRD4 GLA 3087/4885GRIN1 790/4885GRIN2A 1993/4885
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 GLA 4498/4885GRIN1 981/4885GRIN2A 1167/4885
US-20210107891-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 GLA 3087/4885GRIN1 790/4885GRIN2A 1993/4885
US-11053197-B2 Carbazole derivatives BTK, SYK, JAK2 GLA 3178/4885GRIN1 1984/4885GRIN2A 2616/4885
US-20200165222-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 GLA 3087/4885GRIN1 790/4885GRIN2A 1993/4885
US-20200255377-A1 CARBAZOLE DERIVATIVES BTK, SYK, JAK2 GLA 3178/4885GRIN1 1984/4885GRIN2A 2616/4885

“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.