SCHEMBL274438

SCHEMBL274438

Cc1ncc(-c2nc(Nc3ccc(C(=O)Nc4cc(-c5cccs5)ccc4NC(=O)OC(C)(C)C)s3)ncc2F)n1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.43
CDK2 P24941 16/20 0.43
CDK1 P06493 7/20 0.41
ELANE P08246 1/20 0.36

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
SCHEMBL273547 0.88 KCNH2 (0.48) KCNH2CDK2CDK1
SCHEMBL278900 0.79 KCNH2 (0.50) KCNH2CDK2CDK1
SCHEMBL273901 0.77 KCNH2 (0.47) KCNH2CDK2CDK1
SCHEMBL13522736 0.76 CDK2 (0.61) KCNH2CDK2CDK1
SCHEMBL278786 0.76 CDK2 (0.61) KCNH2CDK2CDK1
SCHEMBL273615 0.74 CDK2 (0.61) KCNH2CDK2CDK1
SCHEMBL2638082 0.74 KCNH2 (0.44) KCNH2
SCHEMBL273101 0.72 CDK2 (0.48) KCNH2CDK2CDK1
SCHEMBL327893 0.71 KCNH2 (0.46) KCNH2CDK2CDK1
SCHEMBL274515 0.71 CDK2 (0.47) KCNH2CDK2CDK1

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
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US disclosed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 KCNH2 3847/4885CDK2 3/4885CDK1 18/4885

“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.