SCHEMBL4025355

SCHEMBL4025355

COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C=C(C)C)n3CC3CC3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.64
CDK4 P11802 6/20 0.64
CDK1 P06493 3/20 0.52
SYK P43405 1/20 0.47
IKBKB O14920 1/20 0.44

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
SCHEMBL5102089 0.90 CDK2 (0.76) CDK2CDK4CDK1IKBKB
SCHEMBL4023449 0.87 CDK2 (0.80) CDK2CDK4CDK1SYK
SCHEMBL5109334 0.86 CDK2 (0.75) CDK2CDK4CDK1SYKIKBKB
SCHEMBL4026053 0.86 CDK2 (0.70) CDK2CDK4CDK1SYK
SCHEMBL4021126 0.85 CDK2 (0.53) CDK2CDK4CDK1
SCHEMBL6443060 0.82 CDK2 (0.79) CDK2CDK4CDK1SYK
SCHEMBL5092316 0.78 CDK2 (1.00) CDK2CDK4CDK1
SCHEMBL4864992 0.77 CDK2 (0.80) CDK2CDK4CDK1
SCHEMBL6410272 0.77 CDK2 (0.87) CDK2CDK4CDK1
SCHEMBL6592562 0.76 CDK2 (0.69) CDK2CDK4CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-7485638-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-20050256311-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-17 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-20050256311-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 CDK2 24/4885CDK4 48/4885CDK1 23/4885

“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.