Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2806567

COCCN1CCN(CCc2cccc(Nc3ncc4c(n3)-c3ccccc3[C@H](c3ccccc3F)C4)c2)CC1.Cl

nearest known ligand 0.76

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
CSF1R known ✓ P07333 1/20 0.76
FGFR1 known ✓ P11362 1/20 0.76
FGFR3 known ✓ P22607 1/20 0.76
MET known ✓ P08581 1/20 0.40
JAK2 known ✓ O60674 1/20 0.40
JAK1 known ✓ P23458 1/20 0.40
KDR known ✓ P35968 2/20 0.39
ACVR1 known ✓ Q04771 1/20 0.38
ALK known ✓ Q9UM73 2/20 0.38
ABL1 known ✓ P00519 1/20 0.38
BCR known ✓ P11274 1/20 0.38
FGFR2 P21802 1/20 0.76
MEN1 O00255 5/20 0.41
USP2 O75604 5/20 0.41
CYP1A2 P05177 5/20 0.41
CASP1 P29466 5/20 0.41
CASP7 P55210 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP3A4 P08684 4/20 0.41
HBB P68871 3/20 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
Hydrochloric Acid SCHEMBL30446585 1.00 CSF1R (0.76) CSF1RFGFR1FGFR2FGFR3MEN1
Hydrochloric Acid SCHEMBL2806569 1.00 CSF1R (0.76) CSF1RFGFR1FGFR2FGFR3MEN1
SCHEMBL2489609 0.99 CSF1R (0.78) CSF1RFGFR1FGFR2FGFR3MEN1
SCHEMBL2489606 0.99 CSF1R (0.78) CSF1RFGFR1FGFR2FGFR3MEN1
SCHEMBL2806250 0.99 CSF1R (0.78) CSF1RFGFR1FGFR2FGFR3MEN1
Hydrochloric Acid SCHEMBL2805593 0.94 CSF1R (0.72) CSF1RFGFR1FGFR2FGFR3MEN1
Hydrochloric Acid SCHEMBL2488115 0.94 CSF1R (0.72) CSF1RFGFR1FGFR2FGFR3MEN1
SCHEMBL2808631 0.93 CSF1R (0.73) CSF1RFGFR1FGFR2FGFR3MEN1
Hydrochloric Acid SCHEMBL2803505 0.93 FGFR1 (0.69) CSF1RFGFR1FGFR2FGFR3JAK2
Hydrochloric Acid SCHEMBL2574175 0.93 FGFR1 (0.69) CSF1RFGFR1FGFR2FGFR3JAK2

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 10 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
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
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 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 (2 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 CSF1R 4162/4885FGFR1 3125/4885FGFR3 1434/4885
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 CSF1R 4606/4885FGFR1 530/4885FGFR3 521/4885

“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.