SCHEMBL3467464

SCHEMBL3467464

CC(Sc1cnc(N)s1)c1ncc(C(C)(C)C)o1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.54
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
CCNE2 O96020 13/20 0.35
CCNE1 P24864 13/20 0.35
CDK1 P06493 8/20 0.35
CCNB1 P14635 8/20 0.35
CDK4 P11802 8/20 0.35
CCND1 P24385 8/20 0.35
CCNB2 O95067 7/20 0.35
CCNB3 Q8WWL7 7/20 0.35
CCND2 P30279 4/20 0.32
CCND3 P30281 4/20 0.32
CCNT1 O60563 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
NOS1 P29475 1/20 0.32
PIK3CG P48736 1/20 0.30

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
SCHEMBL6197997 0.82 CDK2 (0.50) CDK2MYCWDR5CCNE2CCNE1
SCHEMBL6179556 0.74 CDK2 (0.59) CDK2MYCWDR5CCNE2CCNE1
SCHEMBL24867729 0.72 CDK2 (0.33) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL960172 0.70 CDK2 (1.00) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL9950303 0.69 HDAC3 (0.58) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1025148 0.69 MYC (0.47) CDK2MYCWDR5NOS1
SCHEMBL3467465 0.69 CDK2 (0.76) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL1694571 0.68 CDK2 (0.33) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL6198002 0.66 CDK2 (0.60) CDK2CCNE2CCNE1CDK1CCNB1
SCHEMBL16086894 0.66 CDK2 (0.41) CDK2MYCWDR5NOS1

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 17/4885MYC 522/4885WDR5 548/4885
US-20120165335-A1 CDK INHIBITORS CDK3, CDK6, CDKL1 CDK2 7/4885MYC 93/4885WDR5 970/4885

“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.