Hydrochloric Acid

Hydrochloric Acid

SCHEMBL636048

CCOC(=O)C(N)c1ncc(C(F)(F)F)cc1Cl.Cl

nearest known ligand 0.66

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
GAA known ✓ P10253 1/20 0.47
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
MAPK1 P28482 1/20 0.63
RECQL P46063 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
HPGD P15428 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL637918 0.99 KMT2A (0.67) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL29649689 0.86 KMT2A (0.82) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL5211782 0.86 KMT2A (0.82) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL4380392 0.84 KMT2A (0.67) KMT2AMEN1MAPK1RECQLCYP1A2
Ammonia Solution, Strong SCHEMBL6606007 0.84 KMT2A (0.67) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL2891610 0.82 KMT2A (0.77) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL5201975 0.81 MEN1 (0.45) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL19371259 0.81 KMT2A (0.64) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL14321742 0.79 MEN1 (0.44) KMT2AMEN1MAPK1RECQLCYP1A2
SCHEMBL20333511 0.78 MAPK1 (1.00) KMT2AMEN1MAPK1RECQLCYP1A2

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-1565441-B1 Process for the preparation of 2-aminomethylpyridine derivatives BAYER CROPSCIENCE SA (FR) 2012-02-22 EP disclosed
CN-100339367-C Process for the preparation of 2-aminomethylpyridine derivative BAYER CROPSCIENCE SA (FR) 2007-09-26 CN disclosed
US-7232911-B2 Process for the preparation of 2-aminomethylpyridine derivative BAYER CROPSCIENCE S.A. (FR) 2007-06-19 US disclosed
US-20060100441-A1 Process for the preparation of 2-aminomethylpyridine derivative BAYER CROPSCIENCE LIMITED (GB) 2006-05-11 US disclosed
CN-1711245-A Process for the preparation of 2-aminomethylpyridine derivative BAYER CROPSCIENCE SA (FR) 2005-12-21 CN disclosed
EP-1565441-A2 PROCESS FOR THE PREPARATION OF 2-AMINOMETHYLPYRIDINE DERIVATIVE Bayer CropScience S.A. (FR) 2005-08-24 EP disclosed
US-6821992-B1 ESPECIALLY AGAINST FUNGAL DISEASES OF PLANTS, E.G. MILDEWS AND PARTICULARLY CEREAL POWDERY MILDEW (ERYSIPHE GRAMINIS) AND VINE DOWNY MILDEW (PLASMOPARA VITICOLA), RICE BLAST (PYRICULARIA ORYZAE), ETC. AVENTIS CROPSCIENCE S.A. (FR) 2004-11-23 US disclosed
WO-2004065359-A2 PROCESS FOR THE PREPARATION OF 2-AMINOMETHYLPYRIDINE DERIVATIVE BAYER CROPSCIENCE S.A. (FR) 2004-08-05 WO disclosed
EP-1204323-B1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2004-07-14 EP disclosed
EP-1422220-A1 Process for the preparation of 2-aminomethylpyridine derivative Bayer CropScience SA (FR) 2004-05-26 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 (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-20060100441-A1 Process for the preparation of 2-aminomethylpyridine derivative AZI2, CYP2C9, ABL2 GAA 1805/4885KMT2A 302/4885MEN1 2143/4885

“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.