SCHEMBL3976366

SCHEMBL3976366

CC(C)CC(N)C(=O)N1CCN(c2ccc(Nc3ncc4c(n3)N(C3CCCC3)C(=O)NC4)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA6 Q9UK32 2/20 0.51
CDK4 P11802 9/20 0.48
CCND1 P24385 9/20 0.48
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
CCND2 P30279 3/20 0.44
CCND3 P30281 3/20 0.44
JAK3 P52333 2/20 0.44
CSF1R P07333 2/20 0.43
EGFR P00533 1/20 0.43
CDK6 Q00534 2/20 0.43
SYK P43405 3/20 0.43
CCNE1 P24864 4/20 0.43
CDK2 P24941 4/20 0.43
CCNE2 O96020 3/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNA2 P20248 2/20 0.43
CCNA1 P78396 2/20 0.43
PAK4 O96013 1/20 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
SCHEMBL3971165 0.86 CDK4 (0.55) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3972021 0.86 CDK4 (0.57) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3971047 0.83 RPS6KA6 (0.64) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3972872 0.83 CDK4 (0.56) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3967477 0.81 CDK4 (0.56) CDK4CCND1CCNT1CDK9CCND2
SCHEMBL3971247 0.81 CDK4 (0.54) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3971271 0.80 RPS6KA6 (0.63) RPS6KA6CDK4CCND1CCND2CCND3
SCHEMBL3974216 0.78 RPS6KA6 (0.52) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL3967353 0.78 CDK4 (0.51) RPS6KA6CDK4CCND1CCNT1CDK9
SCHEMBL6088740 0.78 CDK2 (0.46) CDK4CCND1CCND3CDK6SYK

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
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-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP claimed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO 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 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.