SCHEMBL3972965

SCHEMBL3972965

CCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(CC)C(=O)N(c2cc(OC)cc(OC)c2Cl)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.58
MAPK14 Q16539 2/20 0.58
FGFR4 P22455 9/20 0.48
RIPK2 O43353 6/20 0.47
NOD2 Q9HC29 6/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
FGFR1 P11362 5/20 0.45
FGFR2 P21802 4/20 0.45
FGFR3 P22607 4/20 0.45
WEE1 P30291 2/20 0.44
ACVR1 Q04771 4/20 0.44
SRC P12931 2/20 0.44
KDR P35968 2/20 0.44
CHEK1 O14757 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL3977362 0.92 LCK (0.55) LCKMAPK14FGFR4RIPK2NOD2
SCHEMBL3970429 0.90 LCK (0.65) LCKMAPK14FGFR4RIPK2NOD2
SCHEMBL3971251 0.88 LCK (0.60) LCKMAPK14FGFR4RIPK2NOD2
SCHEMBL3968638 0.86 FGFR4 (0.53) FGFR4FGFR1FGFR2FGFR3KDR
SCHEMBL3972049 0.86 LCK (0.53) LCKMAPK14FGFR4RIPK2NOD2
SCHEMBL3977883 0.85 LCK (0.61) LCKMAPK14FGFR4RIPK2NOD2
SCHEMBL3967544 0.84 FGFR4 (0.56) LCKMAPK14FGFR4FGFR1FGFR2
SCHEMBL6622909 0.83 LCK (0.84) LCKMAPK14FGFR4RIPK2NOD2
SCHEMBL3972198 0.80 LCK (0.46) LCKMAPK14FGFR4RIPK2NOD2
SCHEMBL3976088 0.79 FGFR4 (0.53) FGFR4CDK4CCND1FGFR1FGFR2

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 5 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 claimed
EP-1801112-A1 Bicyclic pyrimidines and bicyclic 3,4-dihydropyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-06-27 EP claimed
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-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 LCK 117/4885MAPK14 447/4885FGFR4 95/4885

“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.