SCHEMBL5727005

SCHEMBL5727005

CC(C)(C)c1cnc(C=O)o1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.32
CCNE2 O96020 2/20 0.30
CCNE1 P24864 2/20 0.30
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCND2 P30279 1/20 0.30
CCND3 P30281 1/20 0.30
CCNB3 Q8WWL7 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
SCHEMBL6629152 0.78 FAAH (0.32)
SCHEMBL9004255 0.78 CDK2 (0.35) CDK2
SCHEMBL9963871 0.75 CDK2 (0.34) CDK2CCNE2CCNE1CCNB2CDK1
SCHEMBL5724820 0.74
SCHEMBL18245550 0.73
SCHEMBL18857313 0.67 CDK2 (0.32) CDK2
SCHEMBL12263976 0.67 CDK2 (0.32) CDK2
SCHEMBL2616422 0.67 CDK2 (0.35) CDK2
SCHEMBL2619433 0.67 PIK3CG (0.41) CDK2
SCHEMBL13545977 0.65 ALDH1A1 (0.44)

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
EP-1087951-B9 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
EP-1087951-B1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2005-02-09 EP disclosed
US-6720347-B2 SUCH AS ETHYL-3-((E)-2-ACETAMIDO-THIAZOL-5-YL)-ACRYLATE FOR TREATMENT OF CANCER, PROLIFERATIVE DISEASES, INFLAMMATION, AND ARTHRITIS BRISTOL-MYERS SQUIBB COMPANY 2004-04-13 US disclosed
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases RAWLINS DAVID B (US) 2002-11-07 US disclosed
US-6407124-B1 ANTICARCINOGENIC, ANTIPROLIFERATIVE, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS; ALZHEIMER*S DISEASE AND CARDIOVASCULAR DISORDER TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2002-06-18 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-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases CCNK, CDK2, CCNL2 CDK2 2/4885CCNE2 23/4885CCNE1 12/4885

“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.