SCHEMBL3467435

SCHEMBL3467435

CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccccc3N)s2)o1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 17/20 0.72
CCNE1 P24864 17/20 0.72
CDK2 P24941 17/20 0.72
CDK4 P11802 10/20 0.72
CCND1 P24385 10/20 0.72
CCNB2 O95067 9/20 0.72
CDK1 P06493 9/20 0.72
CCNB1 P14635 9/20 0.72
CCNB3 Q8WWL7 9/20 0.72
CCND3 P30281 5/20 0.67
CCND2 P30279 3/20 0.67
HDAC3 O15379 3/20 0.60
HDAC4 P56524 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60

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
SCHEMBL10111691 0.93 CCNE2 (0.69) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9950457 0.92 CCNE2 (0.74) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9951590 0.91 CCNE2 (0.79) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9950861 0.89 CCNE2 (0.76) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9950588 0.89 CCNE2 (0.76) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9950049 0.88 HDAC3 (0.75) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9951018 0.88 HDAC3 (0.75) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL9950725 0.86 HDAC3 (0.63) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL10111964 0.83 CCNE2 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3477992 0.82 HDAC3 (0.64) CCNE2CCNE1CDK2CDK4CCND1

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-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 US disclosed
US-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 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
WO-2010075542-A1 CDK INHIBITORS CURIS, INC. (US) 2010-07-01 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-20120165335-A1 CDK INHIBITORS CDK3, CDK6, CDKL1 CCNE2 50/4885CCNE1 40/4885CDK2 7/4885

“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.