SCHEMBL5725374

SCHEMBL5725374

CC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Cc3cccnc3)s2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.62
▸ CCNE1 P24864 12/20 0.62
▸ CCNE2 O96020 5/20 0.62
▸ CDK1 P06493 4/20 0.62
▸ CDK4 P11802 4/20 0.62
▸ CCNB1 P14635 4/20 0.62
▸ CCND1 P24385 4/20 0.62
▸ CCNB2 O95067 3/20 0.62
▸ CCNB3 Q8WWL7 3/20 0.62
▸ CCND2 P30279 1/20 0.62
▸ CCND3 P30281 1/20 0.62
▸ GLS O94925 5/20 0.45
▸ CDK5 Q00535 7/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5725059 1.00 CDK2 (0.62) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL5725069 1.00 CDK2 (0.62) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL5725166 0.90 CDK2 (0.60) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL5725172 0.90 CDK2 (0.60) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL5725687 0.90 CDK2 (0.60) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL6250263 0.89 CCNE1 (0.50) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL6250265 0.89 CCNE1 (0.50) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL5725115 0.87 CCNE1 (0.49) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL5725122 0.87 CCNE1 (0.49) CDK2CCNE1CCNE2CDK1CDK4
SCHEMBL5726009 0.86 CDK2 (0.49) CDK2CCNE1CCNE2CDK1CDK4

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 4 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 claimed
EP-1087951-B1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2005-02-09 — — EP claimed
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases RAWLINS DAVID B (US) 2002-11-07 — — US claimed
US-6407124-B1 ANTICARCINOGENIC, ANTIPROLIFERATIVE, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS; ALZHEIMER*S DISEASE AND CARDIOVASCULAR DISORDER TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2002-06-18 — — US claimed

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 2/4885CCNE1 12/4885CCNE2 23/4885

“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.

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