SCHEMBL3965253

SCHEMBL3965253

CCN(CC)CCOc1ccc(Nc2ncc3c(=O)n(Cc4ccc(OC)cc4)c(=O)n(C(C)C)c3n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.62
CCND1 P24385 2/20 0.62
CCND2 P30279 2/20 0.62
CCND3 P30281 2/20 0.62
RIPK2 O43353 13/20 0.57
NOD2 Q9HC29 13/20 0.57
ACVR1 Q04771 10/20 0.54
WEE1 P30291 5/20 0.53
SRC P12931 2/20 0.53
FGFR1 P11362 2/20 0.51
CHEK1 O14757 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50

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
SCHEMBL3971273 0.86 CDK4 (0.63) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL3971155 0.80 EGFR (0.65) CDK4CCND1CCND2CCND3WEE1
SCHEMBL3972439 0.79 CDK4 (0.68) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL3972205 0.78 CDK4 (0.60) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL5264440 0.77 CDK4 (1.00) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL16446474 0.75 RIPK2 (0.62) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL20564685 0.73 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL6620615 0.72 LCK (0.67) CDK4CCND1CCND2CCND3RIPK2
SCHEMBL3977348 0.72 PDE1B (0.45)
SCHEMBL4353287 0.71 CDK4 (1.00) CDK4CCND1CCND2CCND3RIPK2

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 CDK4 4/4885CCND1 13/4885CCND2 17/4885

“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.