Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17780957

COc1cc2ncnc(Oc3ccc(N)nc3)c2cc1OC.Cl

nearest known ligand 0.67

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 15)

geneUniProtsupporting neighboursconfidence
LCK known ✓ P06239 2/20 0.60
KDR known ✓ P35968 14/20 0.58
EGFR known ✓ P00533 3/20 0.58
RET known ✓ P07949 1/20 0.57
PDGFRA known ✓ P16234 1/20 0.55
CSF1R known ✓ P07333 2/20 0.54
PDGFRB known ✓ P09619 1/20 0.54
FLT4 known ✓ P35916 1/20 0.54
FLT3 known ✓ P36888 1/20 0.54
MET known ✓ P08581 2/20 0.53
KIF5B P33176 1/20 0.57
TRPA1 O75762 1/20 0.53
AURKA O14965 1/20 0.53
TEK Q02763 1/20 0.53
AURKB Q96GD4 1/20 0.53

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
SCHEMBL6512265 0.99 LCK (0.61) LCKKDREGFRRETKIF5B
SCHEMBL2481753 0.84 LCK (0.66) LCKKDREGFRRETKIF5B
SCHEMBL6506857 0.83 KDR (0.66) LCKKDREGFRRETKIF5B
SCHEMBL4360537 0.83 KDR (0.65) LCKKDREGFRRETKIF5B
SCHEMBL23158504 0.82 MET (0.61) LCKKDREGFRRETKIF5B
SCHEMBL5824492 0.82 LCK (0.67) LCKKDREGFRRETKIF5B
SCHEMBL23457663 0.81 LCK (0.74) LCKKDREGFRRETKIF5B
SCHEMBL5201680 0.80 KDR (0.65) LCKKDREGFRRETKIF5B
SCHEMBL198505 0.79 PDGFRB (0.68) KDREGFRPDGFRAPDGFRBMET
SCHEMBL4365791 0.79 KDR (0.74) LCKKDREGFRRETKIF5B

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
US-20200392110-A1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2020-12-17 US disclosed
EP-3415501-B9 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2020-12-02 EP disclosed
US-10676462-B2 Quinoline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2020-06-09 US disclosed
EP-3415501-B1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2020-04-08 EP disclosed
US-10501442-B2 Quinoline derivative ONO PHARMACEUTICALS CO., LTD. (JP) 2019-12-10 US disclosed
EP-3239147-B1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2019-08-28 EP disclosed
US-20190135785-A1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2019-05-09 US disclosed
US-10208034-B2 Quinoline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2019-02-19 US disclosed
US-10208022-B2 Quinoline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2019-02-19 US disclosed
EP-3415501-A1 QUINOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2018-12-19 EP disclosed
US-20180258072-A1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-9994549-B2 Quinoline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2018-06-12 US disclosed
US-20170349583-A1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-12-07 US disclosed
EP-3239147-A1 QUINOLINE DERIVATIVE Ono Pharmaceutical Co., Ltd. (JP) 2017-11-01 EP disclosed
US-20170088542-A1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-30 US disclosed
US-9573935-B2 Quinoline derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-02-21 US disclosed
US-20160168121-A1 QUINOLINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-06-16 US disclosed
EP-3026045-A1 QUINOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-06-01 EP 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-20200392110-A1 QUINOLINE DERIVATIVE FLT3, AXL, ERBB2 LCK 4/4885KDR 27/4885EGFR 17/4885
US-10501442-B2 Quinoline derivative FLT3, AXL, ERBB2 LCK 4/4885KDR 27/4885EGFR 17/4885
US-20170349583-A1 QUINOLINE DERIVATIVE FLT3, AXL, ABL1 LCK 7/4885KDR 118/4885EGFR 42/4885
US-20180258072-A1 QUINOLINE DERIVATIVE FLT3, AXL, ERBB2 LCK 4/4885KDR 27/4885EGFR 17/4885
US-10208022-B2 Quinoline derivative FLT3, AXL, ERBB2 LCK 4/4885KDR 27/4885EGFR 17/4885
US-20160168121-A1 QUINOLINE DERIVATIVE FLT3, AXL, ERBB2 LCK 7/4885KDR 65/4885EGFR 24/4885
US-20170088542-A1 QUINOLINE DERIVATIVE FLT3, AXL, ERBB2 LCK 4/4885KDR 27/4885EGFR 17/4885
US-10676462-B2 Quinoline derivative FLT3, AXL, ERBB2 LCK 4/4885KDR 27/4885EGFR 17/4885
US-20190135785-A1 QUINOLINE DERIVATIVE FLT3, AXL, ERBB2 LCK 4/4885KDR 27/4885EGFR 17/4885
US-10208034-B2 Quinoline derivative FLT3, AXL, ABL1 LCK 7/4885KDR 118/4885EGFR 42/4885

“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.