SCHEMBL3972384

SCHEMBL3972384

C[S+]([O-])c1ncc2c(n1)N(C1CC3CCC1C3)C(=O)NC2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 2/20 0.33
CYP11B2 P19099 1/20 0.32
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CCND2 P30279 2/20 0.31
CCND3 P30281 2/20 0.31

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
SCHEMBL3970714 0.81 CCNE1 (0.34)
SCHEMBL29714333 0.81 CCNE1 (0.34)
SCHEMBL3971391 0.80 HCAR1 (0.34) HCAR1CYP11B2CDK4CCND1CCND2
SCHEMBL3970502 0.75
SCHEMBL5267507 0.70 CCND1 (0.59) HCAR1CDK4CCND1CCND2CCND3
SCHEMBL3968472 0.70 CDK4 (0.64) CDK4CCND1CCND2CCND3
SCHEMBL22174798 0.69 CCNE1 (0.33)
SCHEMBL8468474 0.69 HCAR1 (0.30) HCAR1
SCHEMBL3970445 0.68 SYK (0.45) CDK4CCND1CCND2CCND3
SCHEMBL29507762 0.67 NUAK1 (0.40) HCAR1CYP11B2CDK4CCND1CCND2

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 HCAR1 241/4885CYP11B2 1604/4885CDK4 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.