Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16320258

Cc1cc(C(=O)O)c(NN)cc1Br.Cl

nearest known ligand 0.42

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
LCK known ✓ P06239 1/20 0.36
GAA known ✓ P10253 1/20 0.36
GABRP known ✓ O00591 1/20 0.35
GABRD known ✓ O14764 1/20 0.35
GABRA1 known ✓ P14867 1/20 0.35
GABRB1 known ✓ P18505 1/20 0.35
GABRG2 known ✓ P18507 1/20 0.35
GABRB3 known ✓ P28472 1/20 0.35
GABRA5 known ✓ P31644 1/20 0.35
GABRA3 known ✓ P34903 1/20 0.35
GABRA2 known ✓ P47869 1/20 0.35
GABRB2 known ✓ P47870 1/20 0.35
GABRA4 known ✓ P48169 1/20 0.35
GABRE known ✓ P78334 1/20 0.35
GABRA6 known ✓ Q16445 1/20 0.35
GABRG1 known ✓ Q8N1C3 1/20 0.35
GABRG3 known ✓ Q99928 1/20 0.35
GABRQ known ✓ Q9UN88 1/20 0.35
CA2 known ✓ P00918 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL16364567 0.98 MEN1 (0.40) MEN1KMT2AKDM4EABCC1HSD17B10
SCHEMBL12117481 0.79 KDM4E (0.50) MEN1KMT2AKDM4EABCC1HSD17B10
Hydrochloric Acid SCHEMBL16320375 0.79 STING1 (0.43) KDM4EGAACA12CA1CA2
Hydrochloric Acid SCHEMBL16320209 0.79 MAPT (0.45) KDM4EHSD17B10GAAMETAP2CA12
Hydrochloric Acid SCHEMBL7670687 0.77 HSD17B10 (0.42) MEN1KMT2AKDM4EHSD17B10LCK
SCHEMBL16364784 0.77 STING1 (0.43) KDM4EGAACA12CA1CA2
SCHEMBL16364772 0.77 MAPT (0.46) KDM4EHSD17B10GAAMETAP2CA12
SCHEMBL30240184 0.77 STING1 (0.43) KDM4EGAACA12CA1CA2
SCHEMBL4626748 0.77 HSD17B10 (0.45) KDM4EHSD17B10LCKFYNGAA
SCHEMBL29133155 0.77 MAPT (0.45) MEN1KMT2AKDM4EHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435415-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-08 US disclosed
US-20190023719-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
US-10106559-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-23 US disclosed
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-9850258-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 US disclosed
US-20170283438-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-10-05 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-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
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 (7 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 LCK 22/4885GAA 4069/4885GABRP 1609/4885
US-20180079758-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 LCK 22/4885GAA 4069/4885GABRP 1609/4885
US-20190023719-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 LCK 22/4885GAA 4069/4885GABRP 1609/4885
US-20160194338-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLES CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 LCK 35/4885GAA 3940/4885GABRP 1819/4885
US-20170283438-A1 SUBSTITUTED TETRAHYDROCARBAZOLE AND CARBAZOLE CARBOXAMIDE COMPOUNDS BTK, CNKSR1, JAK2 LCK 22/4885GAA 4069/4885GABRP 1609/4885
US-10106559-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BTK, CNKSR1, JAK2 LCK 22/4885GAA 4069/4885GABRP 1609/4885
US-10435415-B2 Substituted tetrahydrocarbazole and carbazole carboxamide compounds BTK, CNKSR1, JAK2 LCK 22/4885GAA 4069/4885GABRP 1609/4885

“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.