Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2447940

CN1CCC(c2c(O)cc(O)c3c(=O)cc(-c4cccc(Cl)c4Cl)oc23)C1CO.Cl

nearest known ligand 0.87

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
CDK4 known ✓ P11802 14/20 0.87
PRKD3 known ✓ O94806 3/20 0.87
PRKCD known ✓ Q05655 3/20 0.87
MET known ✓ P08581 1/20 0.87
CDK6 known ✓ Q00534 5/20 0.85
EGFR known ✓ P00533 2/20 0.60
PRKCA known ✓ P17252 2/20 0.60
PRKCQ known ✓ Q04759 2/20 0.60
ACVR1 known ✓ Q04771 2/20 0.60
ALK known ✓ Q9UM73 2/20 0.60
JAK2 known ✓ O60674 1/20 0.60
ROCK2 known ✓ O75116 1/20 0.60
ABL1 known ✓ P00519 1/20 0.60
ERBB2 known ✓ P04626 1/20 0.60
PRKCG known ✓ P05129 1/20 0.60
PRKCB known ✓ P05771 1/20 0.60
LCK known ✓ P06239 1/20 0.60
CSF1R known ✓ P07333 1/20 0.60
KIT known ✓ P10721 1/20 0.60
SRC known ✓ P12931 1/20 0.60

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 SCHEMBL2447943 1.00 CDK4 (0.87) CDK4CDK1CDK9GSK3BPRKD3
Hydrochloric Acid SCHEMBL2447947 1.00 CDK4 (0.87) CDK4CDK1CDK9GSK3BPRKD3
SCHEMBL2441179 0.99 CDK4 (0.87) CDK4CDK1CDK9GSK3BPRKD3
SCHEMBL2441187 0.99 CDK4 (0.87) CDK4CDK1CDK9GSK3BPRKD3
SCHEMBL2441181 0.99 CDK4 (0.87) CDK4CDK1CDK9GSK3BPRKD3
Riviciclib SCHEMBL663219 0.93 CDK4 (1.00) CDK4CDK1CDK9GSK3BPRKD3
Riviciclib SCHEMBL29505152 0.93 CDK4 (1.00) CDK4CDK1CDK9GSK3BPRKD3
Riviciclib SCHEMBL290347 0.93 CDK4 (1.00) CDK4CDK1CDK9GSK3BPRKD3
Riviciclib SCHEMBL6119675 0.93 CDK4 (1.00) CDK4CDK1CDK9GSK3BPRKD3
Riviciclib SCHEMBL29387962 0.93 CDK4 (1.00) CDK4CDK1CDK9GSK3BPRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906953-B2 Pyrrolidine substitute flavones for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2014-12-09 US claimed
US-20120316216-A1 PYRROLIDINE SUBSTITUTE FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2012-12-13 US claimed
US-8906953-B2 Pyrrolidine substitute flavones for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2014-12-09 US disclosed
EP-2538941-A1 PYRROLIDINE SUBSTITUTED FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2013-01-02 EP disclosed
WO-2011104584-A1 PYRROLIDINE SUBSTITUTED FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-09-01 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 (1 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-20120316216-A1 PYRROLIDINE SUBSTITUTE FLAVONES FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, SYVN1, PAH CDK4 1833/4885PRKD3 3143/4885PRKCD 3440/4885

“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.