SCHEMBL3971372

SCHEMBL3971372

COc1cc(OC)cc(N2Cc3cnc(NCCNCc4ccncc4)nc3NC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 6/20 0.51
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 2/20 0.37
KDR P35968 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAT2A P31153 3/20 0.35
MKNK2 Q9HBH9 1/20 0.35
AURKA O14965 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
BRAF P15056 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL3975939 0.82 FGFR4 (0.47) FGFR4ADORA2AADORA1FGFR1FGFR2
SCHEMBL3975110 0.81 FGFR4 (0.61) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL3971418 0.79 FGFR4 (0.52) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL3979713 0.79 FGFR4 (0.52) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL3974703 0.78 FGFR4 (0.51) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL3971289 0.78 FGFR4 (0.51) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL3969621 0.77 FGFR4 (0.51) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL22165708 0.71 FGFR4 (0.47) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL3971040 0.71 FGFR4 (0.64) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL24490202 0.70 FGFR4 (0.56) FGFR4FGFR1FGFR2FGFR3CCNA2

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 4 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

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 95/4885ADORA2A 1740/4885ADORA1 424/4885

“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.