Hydrochloric Acid

Hydrochloric Acid

SCHEMBL538619

Cl.N=C(N)Nc1cccc(CCO)c1

nearest known ligand 0.50

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
ITGB3 known ✓ P05106 1/20 0.47
ITGA2B known ✓ P08514 1/20 0.47
SIGMAR1 known ✓ Q99720 7/20 0.44
GRIN2D known ✓ O15399 2/20 0.44
GRIN3B known ✓ O60391 2/20 0.44
GRIN1 known ✓ Q05586 2/20 0.44
GRIN2A known ✓ Q12879 2/20 0.44
GRIN2B known ✓ Q13224 2/20 0.44
GRIN2C known ✓ Q14957 2/20 0.44
GRIN3A known ✓ Q8TCU5 2/20 0.44
SIRT1 Q96EB6 1/20 0.50
TRPV1 Q8NER1 1/20 0.45
AOC3 Q16853 1/20 0.44
PYGL P06737 1/20 0.42
NOS1 P29475 2/20 0.42
CYP2D6 P10635 1/20 0.42
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
PLAU P00749 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL1184796 0.98 SIRT1 (0.51) SIRT1ITGB3ITGA2BTRPV1SIGMAR1
SCHEMBL18980991 0.90 SIRT1 (0.48) SIRT1ITGB3ITGA2BTRPV1SIGMAR1
Nitric Acid SCHEMBL7265166 0.88 SIRT1 (0.47) SIRT1ITGB3ITGA2BTRPV1SIGMAR1
Nitric Acid SCHEMBL1185253 0.88 SIRT1 (0.47) SIRT1ITGB3ITGA2BTRPV1SIGMAR1
[3-(Hydroxymethyl)Phenyl]Guanidine SCHEMBL1186272 0.84 PRSS1 (0.55) ITGB3ITGA2BTRPV1SIGMAR1GRIN2D
SCHEMBL19000835 0.83 SIGMAR1 (0.62) ITGB3ITGA2BSIGMAR1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6680642 0.83 LOXL2 (0.53) ITGB3ITGA2BSIGMAR1GRIN2DGRIN3B
SCHEMBL5960303 0.81 KMT2A (0.56) SIRT1ITGB3ITGA2BTRPV1SIGMAR1
SCHEMBL7873185 0.81 TRPV1 (0.46) SIRT1ITGB3ITGA2BTRPV1SIGMAR1
SCHEMBL28347492 0.81 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189036-B1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ARQULE INC (US) 2023-07-19 EP disclosed
CN-111494378-A Compositions and methods for treating proliferative disorders 艾科尔公司 2020-08-07 CN disclosed
CN-107074769-B Compositions and methods for treating proliferative disorders 艾科尔公司 2020-04-07 CN disclosed
US-9949981-B2 Compositions and methods for treating proliferation disorders ARQULE, INC. (US) 2018-04-24 US disclosed
CN-107074769-A Compositions and methods for treating proliferative disorders 艾科尔公司 2017-08-18 CN disclosed
EP-3189036-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ArQule, Inc. (US) 2017-07-12 EP disclosed
US-20160067260-A1 Compositions and Methods for Treating Proliferation Disorders ARQULE, INC. 2016-03-10 US disclosed
WO-2016037044-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ARQULE, INC. (US) 2016-03-10 WO disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
CN-102325755-B Substituted 5,6-dihydro-6-phenylbenzo[f] isoquinolin-2-amine compounds ARQULE INC 2015-07-01 CN disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8349827-B2 Substituted dipyrido-pyrimido-diazepine and benzo-pyrido-pyrimido compounds ARQULE, INC. (US) 2013-01-08 US disclosed
EP-2414360-A1 SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
EP-2379506-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 EP disclosed
WO-2010114898-A1 SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249108-A1 SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO 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 (3 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-20160067260-A1 Compositions and Methods for Treating Proliferation Disorders MKI67, HRAS, VHL ITGB3 3458/4885ITGA2B 4283/4885SIGMAR1 3615/4885
US-20100249108-A1 SUBSTITUTED DIPYRIDO-PYRIMIDO-DIAZEPINE AND BENZO-PYRIDO-PYRIMIDO COMPOUNDS PDXK, DPYD, DHFR ITGB3 4195/4885ITGA2B 4674/4885SIGMAR1 2994/4885
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ITGB3 3466/4885ITGA2B 3248/4885SIGMAR1 2817/4885

“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.