SCHEMBL3467443

SCHEMBL3467443

CC(Cl)c1ncc(C(C)(C)C)o1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.31
CCNB2 O95067 2/20 0.31
CCNE2 O96020 2/20 0.31
CDK1 P06493 2/20 0.31
CDK4 P11802 2/20 0.31
CCNB1 P14635 2/20 0.31
CCND1 P24385 2/20 0.31
CCNE1 P24864 2/20 0.31
CCNB3 Q8WWL7 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
SCHEMBL1694571 0.83 CDK2 (0.33) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL24867729 0.76 CDK2 (0.33) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL19521626 0.73 CDK2 (0.31) CDK2CCNB2CCNE2CDK1CDK4
SCHEMBL7080407 0.69
SCHEMBL21720208 0.69 CDK2 (0.34) CDK2
SCHEMBL14417041 0.67
SCHEMBL22314882 0.67
SCHEMBL2619433 0.66 PIK3CG (0.41) CDK2
SCHEMBL2616422 0.66 CDK2 (0.35) CDK2
SCHEMBL10203084 0.65 CDK2 (0.43) CDK2CCNB2CCNE2CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563741-B2 CDK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-10-22 US disclosed
US-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 US disclosed
WO-2010075542-A1 CDK INHIBITORS CURIS, INC. (US) 2010-07-01 WO disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 US disclosed
WO-2009036016-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO 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 (2 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-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CDK3, CDKL1, CDKL3 CDK2 17/4885CCNB2 82/4885CCNE2 111/4885
US-20120165335-A1 CDK INHIBITORS CDK3, CDK6, CDKL1 CDK2 7/4885CCNB2 44/4885CCNE2 50/4885

“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.