Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1396151

Cl.Oc1ccc(Nc2ncc(Br)c3ccccc23)cc1

nearest known ligand 0.57

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
GAA known ✓ P10253 9/20 0.57
ALK known ✓ Q9UM73 2/20 0.48
FGFR1 known ✓ P11362 1/20 0.42
NTRK1 known ✓ P04629 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.55
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
POLB P06746 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
ENPP3 O14638 1/20 0.43
IGF1R P08069 1/20 0.43

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
SCHEMBL1396079 0.98 ABCG2 (0.56) GAAABCG2ALKMEN1KMT2A
SCHEMBL2226865 0.83 KDM4E (0.49) ABCG2MEN1KMT2ALMNAMAPT
SCHEMBL5527179 0.79 ABCG2 (0.49) GAAABCG2POLBNPC1RAB9A
SCHEMBL1396200 0.78 ABCG2 (0.56) GAAABCG2ALKMEN1KMT2A
SCHEMBL3270075 0.73 IGF1R (0.82) ALKIGF1R
SCHEMBL29894633 0.71 ABCG2 (1.00) GAAABCG2ALKMEN1KMT2A
SCHEMBL4478882 0.71 ABCG2 (1.00) GAAABCG2ALKMEN1KMT2A
SCHEMBL4497329 0.71 ABCG2 (0.58) GAAABCG2ALKMEN1KMT2A
SCHEMBL787987 0.70 EGFR (0.62) ABCG2LMNAHTT
SCHEMBL1445945 0.68 PLAU (0.52) GAAMEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20130165445-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2013-06-27 US disclosed
EP-2288611-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2013-05-15 EP disclosed
US-8404694-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 US disclosed
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2011-03-17 US disclosed
EP-2288611-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen Inc. (US) 2011-03-02 EP disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
WO-2009117157-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2009-09-24 WO disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 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 (6 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 GAA 1887/4885ALK 283/4885FGFR1 180/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 GAA 1887/4885ALK 283/4885FGFR1 180/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885ALK 283/4885FGFR1 180/4885
US-20110065709-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB GAA 2559/4885ALK 428/4885FGFR1 363/4885
US-20130165445-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB GAA 2559/4885ALK 428/4885FGFR1 363/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885ALK 283/4885FGFR1 180/4885

“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.