SCHEMBL3971092

SCHEMBL3971092

CC(C)C1C(=O)N=Cc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.52
CCND1 P24385 9/20 0.52
CDK2 P24941 4/20 0.52
CDK1 P06493 3/20 0.52
CCNB1 P14635 3/20 0.52
CCNE1 P24864 3/20 0.52
CCND2 P30279 6/20 0.50
CCND3 P30281 6/20 0.50
SYK P43405 5/20 0.39
STAT6 P42226 1/20 0.39
CCNA2 P20248 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
WEE1 P30291 2/20 0.38

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
SCHEMBL6088805 0.77 CDK4 (0.51) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087018 0.76 CDK4 (0.56) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6940086 0.71 CDK4 (0.74) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3971813 0.70 CDK4 (0.54) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6087308 0.70 CDK2 (0.54) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL6088192 0.70 CDK4 (0.77) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3968231 0.69 CDK4 (0.73) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3552760 0.69 CDK2 (0.73) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3551810 0.69 CDK2 (0.73) CDK4CCND1CDK2CDK1CCNB1
SCHEMBL3027573 0.69 CDK4 (0.52) CDK4CCND1CDK2CDK1CCNB1

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
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
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 CDK4 4/4885CCND1 13/4885CDK2 6/4885

“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.