SCHEMBL13619702

SCHEMBL13619702

COCCOc1cnc2ccc(CN=[N+]=[N-])cc2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.42
CBFB Q13951 2/20 0.39
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
S1PR1 P21453 1/20 0.33

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
SCHEMBL187290 0.79 CBFB (0.57) METCBFBPDGFRBPDGFRAALDH1A1
SCHEMBL370132 0.77 CBFB (0.46) METCBFBPDGFRBPDGFRAALDH1A1
SCHEMBL359222 0.77 MET (0.47) METCBFBPDGFRBPDGFRAALDH1A1
SCHEMBL25217708 0.77 CDK4 (0.32) PDGFRB
SCHEMBL31052342 0.77 CDK4 (0.32) PDGFRB
SCHEMBL13619433 0.76 MET (0.45) METCBFBPDGFRBPDGFRAALDH1A1
SCHEMBL21027918 0.75 KLKB1 (0.37)
SCHEMBL358693 0.73 CNR1 (0.47) METCBFBPDGFRBPDGFRAALDH1A1
SCHEMBL358992 0.73 EGFR (0.42) METCBFBALDH1A1F2GLA
SCHEMBL187431 0.73 FBP1 (0.44) METCBFBPDGFRBPDGFRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET MET 3/4885CBFB 1219/4885PDGFRB 106/4885

“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.