SCHEMBL14067131

SCHEMBL14067131

CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCCC3)s2)o1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.82
CDK9 P50750 11/20 0.82
CCNE2 O96020 10/20 0.82
CCNE1 P24864 10/20 0.82
CDK1 P06493 4/20 0.82
CCNB1 P14635 4/20 0.82
CCNT1 O60563 3/20 0.82
CDK7 P50613 3/20 0.82
CCNH P51946 3/20 0.82
CCNB2 O95067 3/20 0.82
CDK4 P11802 3/20 0.82
CCND1 P24385 3/20 0.82
CCNB3 Q8WWL7 3/20 0.82
MNAT1 P51948 2/20 0.82
CCNA1 P78396 2/20 0.82
CCND2 P30279 2/20 0.82
CCND3 P30281 2/20 0.82
CIT O14578 1/20 0.82
CASK O14936 1/20 0.82
AURKA O14965 1/20 0.82

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
SCHEMBL14093617 0.91 CDK2 (0.84) CDK2CDK9CCNE2CCNE1CDK1
SCHEMBL4731669 0.90 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1
Bms-387032 SCHEMBL187401 0.90 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1
SCHEMBL4735461 0.90 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1
SCHEMBL4999468 0.90 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1
SCHEMBL4733685 0.89 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1
SCHEMBL4730239 0.89 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1
SCHEMBL4731289 0.89 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1
Bms-387032 SCHEMBL20583046 0.89 CDK2 (0.98) CDK2CDK9CCNE2CCNE1CDK1
SCHEMBL20905302 0.89 CDK2 (1.00) CDK2CDK9CCNE2CCNE1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 CDK2 117/4885CDK9 147/4885CCNE2 890/4885

“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.