SCHEMBL3972914

SCHEMBL3972914

O=C1NCc2cnc(Nc3ccc(-n4cccc4)cc3)nc2N1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.47
CCNE1 P24864 7/20 0.47
MARK3 P27448 4/20 0.47
MARK4 Q96L34 3/20 0.46
RPS6KA6 Q9UK32 2/20 0.46
CDK4 P11802 10/20 0.44
CCND1 P24385 8/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CCND2 P30279 5/20 0.42
CCND3 P30281 5/20 0.42
CDK1 P06493 3/20 0.42
SYK P43405 1/20 0.41
CCNE2 O96020 5/20 0.41
CCNA2 P20248 5/20 0.41
CCNA1 P78396 4/20 0.41
FGFR1 P11362 3/20 0.41
FGFR2 P21802 3/20 0.41
FGFR4 P22455 3/20 0.41
FGFR3 P22607 3/20 0.41

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
SCHEMBL3968642 0.87 SYK (0.49) CDK2CCNE1MARK3MARK4RPS6KA6
SCHEMBL3972872 0.86 CDK4 (0.56) CDK2CCNE1RPS6KA6CDK4CCND1
SCHEMBL3971292 0.85 MARK3 (0.49) CDK2CCNE1MARK3MARK4RPS6KA6
SCHEMBL3977665 0.85 CDK4 (0.57) CDK2CCNE1MARK3MARK4RPS6KA6
SCHEMBL3971047 0.84 RPS6KA6 (0.64) CDK2CCNE1MARK3MARK4RPS6KA6
SCHEMBL3971271 0.84 RPS6KA6 (0.63) CDK2CCNE1RPS6KA6CDK4CCND1
SCHEMBL3971247 0.83 CDK4 (0.54) CDK2CCNE1RPS6KA6CDK4CCND1
SCHEMBL3970756 0.83 KDR (0.50) CDK2CCNE1MARK3MARK4FGFR1
SCHEMBL3974650 0.82 CDK2 (0.58) CDK2CCNE1MARK3MARK4RPS6KA6
SCHEMBL3972270 0.82 CDK4 (0.56) CDK2CCNE1MARK3MARK4RPS6KA6

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 CDK2 6/4885CCNE1 12/4885MARK3 3560/4885

“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.