SCHEMBL3973604

SCHEMBL3973604

CC(=O)N1CCN(c2ccc(Nc3ncc4cnc(NC(=O)CC(C)C)nc4n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.58
ALK Q9UM73 1/20 0.58
CDK4 P11802 1/20 0.56
CCND1 P24385 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56

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
SCHEMBL3971261 0.85 SYK (0.62) SYKALKCDK4CCND1CCNE1
SCHEMBL3971813 0.83 CDK4 (0.54) SYKCDK4CCND1CCNE1CDK2
SCHEMBL3970405 0.81 SYK (0.50) SYKCDK4CCND1CCNE1CDK2
SCHEMBL6073874 0.81 ALK (0.64) SYKALKCDK4CCND1CCNE1
SCHEMBL3967522 0.78 IKBKB (0.46) CDK4CCND1
SCHEMBL6074378 0.77 SYK (0.56) SYKALKCDK4CCND1CCNE1
SCHEMBL3970476 0.76 CDK4 (0.57) SYKCDK4CCND1CCNE1CDK2
SCHEMBL7507901 0.76 CDK4 (0.56) SYKALKCDK4CCND1CCNE1
SCHEMBL6073406 0.75 ALK (0.54) SYKALKCDK4CCND1CCNE1
SCHEMBL29372589 0.75 ALK (0.67) SYKALKCDK4CCND1CCNE1

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 5 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
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 SYK 1511/4885ALK 1912/4885CDK4 4/4885

“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.