SCHEMBL3973556

SCHEMBL3973556

CN1C=C2CN(c3ccc(Nc4ncc5c(n4)N(C4CCCC4)C(=O)NC5)cc3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA6 Q9UK32 2/20 0.48
CDK4 P11802 12/20 0.46
CCND1 P24385 10/20 0.46
CCNT1 O60563 3/20 0.46
CDK9 P50750 3/20 0.46
CDK2 P24941 7/20 0.44
CCNE1 P24864 6/20 0.44
CCND2 P30279 5/20 0.43
CCND3 P30281 5/20 0.43
CCNA2 P20248 5/20 0.43
CCNE2 O96020 4/20 0.43
CCNA1 P78396 3/20 0.43
PAK4 O96013 1/20 0.43
PAK1 Q13153 1/20 0.43
PKN1 Q16512 1/20 0.43
CDK1 P06493 3/20 0.43
FGFR1 P11362 3/20 0.43
CCNB1 P14635 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR4 P22455 2/20 0.43

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
SCHEMBL3971047 0.85 RPS6KA6 (0.64) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3973554 0.84 RPS6KA6 (0.53) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3977665 0.83 CDK4 (0.57) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3972872 0.83 CDK4 (0.56) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3971271 0.81 RPS6KA6 (0.63) RPS6KA6CDK4CCND1CDK2CCNE1
SCHEMBL3972270 0.81 CDK4 (0.56) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3971247 0.81 CDK4 (0.54) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3967353 0.80 CDK4 (0.51) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3974216 0.80 RPS6KA6 (0.52) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3972021 0.79 CDK4 (0.57) RPS6KA6CDK4CCND1CCNT1CDK9

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 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
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 RPS6KA6 1259/4885CDK4 4/4885CCND1 13/4885

“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.