Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16320375

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

nearest known ligand 0.43

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 2/20 0.35
GAA known ✓ P10253 1/20 0.34
GLA known ✓ P06280 1/20 0.33
STING1 Q86WV6 1/20 0.43
KCNK2 O95069 1/20 0.42
KCNK10 P57789 1/20 0.42
KIF11 P52732 1/20 0.36
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 1/20 0.36
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
SIRT6 Q8N6T7 1/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL16364784 0.98 STING1 (0.43) STING1KCNK2KCNK10KIF11KEAP1
SCHEMBL30240184 0.98 STING1 (0.43) STING1KCNK2KCNK10KIF11KEAP1
Hydrochloric Acid SCHEMBL21988903 0.93 KCNK2 (0.48) STING1KCNK2KCNK10KIF11KEAP1
Hydrochloric Acid SCHEMBL15994581 0.93 KCNK2 (0.48) STING1KCNK2KCNK10KIF11KEAP1
SCHEMBL16004173 0.91 KCNK2 (0.49) STING1KCNK2KCNK10KIF11KEAP1
SCHEMBL17627488 0.83 CTSV (0.42) STING1KEAP1NFE2L2NPC1RAB9A
Hydrochloric Acid SCHEMBL16320258 0.79 MEN1 (0.42) CA1CA2CA9CA12CA3
Hydrochloric Acid SCHEMBL16320209 0.79 MAPT (0.45) CA1CA2CA9CA12CA3
SCHEMBL1316410 0.78 KDM4E (0.49) STING1KCNK2KCNK10CA1CA2
SCHEMBL16364567 0.77 MEN1 (0.40) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304606-B Degradation agent for simultaneously targeting BTK and GSPT proteins 清华大学 2024-04-19 CN disclosed
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
US-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-28 US disclosed
CN-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 CN disclosed
CN-110312713-B Process for preparing tetrahydrocarbazole carboxamide compounds 百时美施贵宝公司 2022-08-12 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
US-20210078980-A1 PROCESS FOR PREPARING TETRAHYDROCARBAZOLE CARBOXAMIDE COMPOUND BRISTOL MYERS SQUIBB CO (US) 2021-03-18 US 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 (10 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-20210078980-A1 PROCESS FOR PREPARING TETRAHYDROCARBAZOLE CARBOXAMIDE COMPOUND CYP2C8, CYP3A7, PARP8 CA2 2985/4885GAA 1160/4885GLA 3553/4885
US-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound CYP2C8, CYP3A7, PARP8 CA2 2985/4885GAA 1160/4885GLA 3553/4885
US-20140378475-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 CA2 816/4885GAA 4069/4885GLA 3863/4885
US-20230192645-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885GLA 3087/4885
US-20170066740-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885GLA 3087/4885
US-11623921-B2 Indole carboxamide compounds BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885GLA 3087/4885
US-20160194338-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLES CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 CA2 951/4885GAA 3940/4885GLA 3740/4885
US-20160115126-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885GLA 3087/4885
US-20210107891-A1 INDOLE CARBOXAMIDE COMPOUNDS BTK, JAK2, BRD4 CA2 615/4885GAA 4042/4885GLA 3087/4885
US-11053197-B2 Carbazole derivatives BTK, SYK, JAK2 CA2 1487/4885GAA 3175/4885GLA 3178/4885

“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.