SCHEMBL273170

SCHEMBL273170

Cc1ncc(C(=O)C(Br)Br)n1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.33
CDK2 P24941 6/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL279078 0.80 KCNH2 (0.35) KCNH2CDK2
SCHEMBL278962 0.70 MAPT (0.40)
SCHEMBL27229114 0.70 CDK2 (0.34) KCNH2CDK2GSK3B
SCHEMBL25672326 0.69 HTT (0.35) GSK3B
SCHEMBL3552240 0.68 CDK2 (0.33) KCNH2CDK2
SCHEMBL273650 0.68 CDK2 (0.34) KCNH2CDK2
SCHEMBL3552233 0.68 CDK2 (0.33) KCNH2CDK2
SCHEMBL3552236 0.68 CDK2 (0.33) KCNH2CDK2
SCHEMBL1156032 0.68 CDK2 (0.34) KCNH2CDK2
SCHEMBL27701545 0.68 KCNH2 (0.34) KCNH2CDK2GSK3B

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 3/4885GSK3B 690/4885

“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.