SCHEMBL3977883

SCHEMBL3977883

CCN(CC)CCOc1ccc(Nc2ncc3c(n2)N(CC)C(=O)N(c2c(C)c(OC)cc(OC)c2C)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.61
MAPK14 Q16539 1/20 0.61
CDK4 P11802 6/20 0.50
CCND1 P24385 6/20 0.50
CCND2 P30279 6/20 0.50
CCND3 P30281 6/20 0.50
RIPK2 O43353 4/20 0.47
NOD2 Q9HC29 4/20 0.47
WEE1 P30291 4/20 0.45
ACVR1 Q04771 3/20 0.45
SRC P12931 2/20 0.45
FGFR1 P11362 3/20 0.44
FGFR4 P22455 3/20 0.44
FGFR2 P21802 2/20 0.44
FGFR3 P22607 2/20 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
SCHEMBL3970429 0.92 LCK (0.65) LCKMAPK14CDK4CCND1CCND2
SCHEMBL3977362 0.90 LCK (0.55) LCKMAPK14CDK4CCND1CCND2
SCHEMBL3971251 0.87 LCK (0.60) LCKMAPK14CDK4CCND1CCND2
SCHEMBL3972965 0.85 LCK (0.58) LCKMAPK14CDK4CCND1CCND2
SCHEMBL6622909 0.85 LCK (0.84) LCKMAPK14CDK4CCND1CCND2
SCHEMBL3976274 0.84 FGFR4 (0.48) CDK4CCND1CCND2CCND3FGFR1
SCHEMBL3971181 0.82 FGFR4 (0.58) LCKMAPK14FGFR1FGFR4FGFR2
SCHEMBL6622434 0.79 LCK (0.83) LCKMAPK14CDK4CCND1CCND2
SCHEMBL6619078 0.78 LCK (0.79) LCKMAPK14CDK4CCND1CCND2
SCHEMBL6622844 0.77 LCK (0.86) LCKMAPK14CDK4CCND1CCND2

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 447/4885CDK4 4/4885

“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.