SCHEMBL4208159

SCHEMBL4208159

CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccc(/C=C/C(=O)NO)cc3)s2)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.72
CCNE2 O96020 12/20 0.72
CCNE1 P24864 12/20 0.72
CDK4 P11802 8/20 0.72
CCND1 P24385 8/20 0.72
CDK7 P50613 4/20 0.68
CDK9 P50750 4/20 0.68
KDR P35968 1/20 0.65
CCNT1 O60563 2/20 0.62
CCNH P51946 2/20 0.62
MNAT1 P51948 2/20 0.62
CCNA1 P78396 2/20 0.62
CCNB2 O95067 7/20 0.62
CDK1 P06493 7/20 0.62
CCNB1 P14635 7/20 0.62
CCNB3 Q8WWL7 7/20 0.62
CCND3 P30281 5/20 0.62
CCND2 P30279 2/20 0.62
CDK6 Q00534 4/20 0.61
HDAC3 O15379 3/20 0.61

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
SCHEMBL4208163 1.00 CDK2 (0.72) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL3467501 0.92 CDK2 (0.76) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL3467500 0.92 CDK2 (0.76) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL9950357 0.92 CDK2 (0.68) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL3467773 0.92 CDK2 (0.68) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL4210895 0.91 CDK2 (0.69) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL4210892 0.91 CDK2 (0.69) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL3468382 0.90 CDK2 (0.70) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL9950643 0.90 CDK2 (0.70) CDK2CCNE2CCNE1CDK4CCND1
SCHEMBL4203328 0.84 CCNE2 (0.70) CDK2CCNE2CCNE1CDK4CCND1

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 7 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-8563741-B2 CDK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-10-22 US disclosed
US-8563741-B2 CDK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2013-10-22 US disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 US disclosed
US-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-04-09 US 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 (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-20090093507-A1 CDK INHIBITORS CONTAINING A ZINC BINDING MOIETY CDK3, CDKL1, CDKL3 CDK2 17/4885CCNE2 111/4885CCNE1 93/4885

“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.