SCHEMBL5725975

SCHEMBL5725975

CC(C)Cc1cnc(/C=C/c2cnc(NC(=O)[C@@H](N)Cc3cncn3C)s2)o1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.33
CCNE1 P24864 3/20 0.32
CDK2 P24941 3/20 0.32
CCNE2 O96020 2/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
CDK5 Q00535 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR142 Q7Z601 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
SCHEMBL5727425 1.00 CAPN1 (0.33) CAPN1CCNE1CDK2CCNE2CCNB2
SCHEMBL5728086 0.84 CAPN1 (0.33) CAPN1CCNE1CDK2CCNE2CCNB2
SCHEMBL5725585 0.84 CAPN1 (0.33) CAPN1CCNE1CDK2CCNE2CCNB2
SCHEMBL5726079 0.83 CCNE1 (0.32) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL5728145 0.83 CCNE1 (0.32) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL7506760 0.80 CCNE1 (0.32) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL5725520 0.75 GSK3B (0.37) CCNE1CDK2CDK1CDK4CCNB1
SCHEMBL5725724 0.74 CCNE1 (0.35) CAPN1CCNE1CDK2CCNE2CDK1
SCHEMBL5724741 0.73
SCHEMBL5725546 0.71 CDK2 (0.45) CAPN1CCNE1CDK2CCNE2CCNB2

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 CAPN1 1063/4885CCNE1 12/4885CDK2 2/4885

“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.