SCHEMBL3971040

SCHEMBL3971040

COc1cc(OC)cc(N2Cc3cnc(SC)nc3NC2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 7/20 0.64
KDR P35968 4/20 0.46
FGFR1 P11362 3/20 0.46
FGFR2 P21802 3/20 0.46
FGFR3 P22607 3/20 0.46
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
TNF P01375 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL22165680 0.91 FGFR4 (0.53) FGFR4KDRFGFR1FGFR2FGFR3
SCHEMBL3967080 0.80 FGFR4 (0.51) FGFR4KDRFGFR1FGFR2FGFR3
SCHEMBL4403309 0.79 FGFR1 (0.50) FGFR4KDRFGFR1FGFR2FGFR3
SCHEMBL15412943 0.78 FGFR4 (1.00) FGFR4KDRFGFR1FGFR2FGFR3
SCHEMBL7857534 0.78 FGFR4 (0.51) FGFR4KDRFGFR1FGFR2FGFR3
SCHEMBL3975110 0.76 FGFR4 (0.61) FGFR4KDRFGFR1FGFR2FGFR3
SCHEMBL5228330 0.76 DDB1 (0.43) FGFR4KDRAURKAAURKBKDM4E
SCHEMBL3975638 0.76 FGFR4 (0.75) FGFR4KDRFGFR1FGFR2FGFR3
SCHEMBL6618748 0.75 MAPK14 (0.44) FGFR4KDRAURKAAURKBKDM4E
SCHEMBL3967426 0.75 FGFR4 (0.59) FGFR4KDRFGFR1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501425-B1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyprimidines as inhibitors of cellular proliferation WARNER LAMBERT COMPANY (US) 2009-03-10 US disclosed
EP-1080092-B1 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-07-23 EP disclosed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation DOBRUSIN ELLEN MYRA (US) 2004-03-04 US disclosed
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP disclosed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 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-20040044012-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation CCNI, CCNH, CCNA1 FGFR4 95/4885KDR 66/4885FGFR1 55/4885

“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.