SCHEMBL186997

SCHEMBL186997

COCCOc1cnc2ccc(C=O)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
EGFR P00533 2/20 0.43
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
F2 P00734 1/20 0.42
GLA P06280 1/20 0.42
MET P08581 7/20 0.41
MAPT P10636 2/20 0.40
CBFB Q13951 2/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL186985 0.86 PDGFRB (0.43) EGFRPDGFRBPDGFRAALDH1A1HPGD
SCHEMBL29935640 0.84 APP (0.40) FDPSEGFRPDGFRBPDGFRAALDH1A1
SCHEMBL14917021 0.84 ALDH1A1 (0.45) EGFRPDGFRBPDGFRAALDH1A1HPGD
SCHEMBL359222 0.82 MET (0.47) PDGFRBPDGFRAALDH1A1HPGDF2
SCHEMBL15650212 0.82 FDPS (0.50) FDPSALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL28284745 0.81 PDGFRB (0.40) FDPSEGFRPDGFRBPDGFRAALDH1A1
SCHEMBL358992 0.78 EGFR (0.42) EGFRALDH1A1HPGDF2GLA
SCHEMBL187431 0.78 FBP1 (0.44) EGFRPDGFRBPDGFRAALDH1A1HPGD
SCHEMBL358693 0.78 CNR1 (0.47) PDGFRBPDGFRAALDH1A1HPGDF2
SCHEMBL4732216 0.78 ALDH1A1 (0.57) EGFRPDGFRBPDGFRAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
EP-2310389-B1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-01-04 EP disclosed
EP-2310389-B1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-01-04 EP disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
EP-2310389-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2011-04-20 EP disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 WO disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 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 (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-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET FDPS 893/4885EGFR 234/4885PDGFRB 106/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET FDPS 1943/4885EGFR 29/4885PDGFRB 64/4885

“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.