SCHEMBL4249758

SCHEMBL4249758

Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CC[C@H](N(C)C)C4)nc3)ncc2Cl)n1C(C)C

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.68
CDK1 P06493 10/20 0.68
KCNH2 Q12809 6/20 0.47

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
SCHEMBL1447223 0.91 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL1447542 0.91 CDK2 (0.83) CDK2CDK1KCNH2
SCHEMBL4247391 0.86 CDK2 (0.69) CDK2CDK1KCNH2
SCHEMBL1447982 0.81 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1447395 0.81 CDK2 (1.00) CDK2CDK1KCNH2
SCHEMBL1448237 0.79 CDK2 (0.84) CDK2CDK1KCNH2
SCHEMBL1447545 0.79 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL1447350 0.79 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL1448480 0.79 CDK2 (0.82) CDK2CDK1KCNH2
SCHEMBL1447687 0.79 CDK2 (0.82) CDK2CDK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-09-17 US claimed

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-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION MKI67, TYMP, PCNA CDK2 23/4885CDK1 55/4885KCNH2 4185/4885

“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.