SCHEMBL5725337

SCHEMBL5725337

CC(C)Cc1cnc(/C=C/c2cnc(NC(=O)[C@H](Cc3cn(C)cn3)NC(=O)COC(C)(C)C)s2)o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.36
SCN9A Q15858 9/20 0.34
S1PR1 P21453 1/20 0.32
PSEN1 P49768 5/20 0.31
PSEN2 P49810 5/20 0.31
APH1B Q8WW43 5/20 0.31
NCSTN Q92542 5/20 0.31
APH1A Q96BI3 5/20 0.31
PSENEN Q9NZ42 5/20 0.31
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL5727873 1.00 CAPN1 (0.36) CAPN1SCN9AS1PR1PSEN1PSEN2
SCHEMBL7505585 0.86 PSEN1 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5728086 0.82 CAPN1 (0.33) CAPN1CCNE2CCNE1CDK2
SCHEMBL5725585 0.82 CAPN1 (0.33) CAPN1CCNE2CCNE1CDK2
SCHEMBL5725724 0.81 CCNE1 (0.35) CAPN1S1PR1CCNE2CCNE1CDK2
SCHEMBL5725975 0.70 CAPN1 (0.33) CAPN1CCNE2CCNE1CDK2
SCHEMBL5728145 0.70 CCNE1 (0.32) CCNE2CCNE1CDK2
SCHEMBL5727425 0.70 CAPN1 (0.33) CAPN1CCNE2CCNE1CDK2
SCHEMBL5726079 0.70 CCNE1 (0.32) CCNE2CCNE1CDK2
SCHEMBL5725520 0.69 GSK3B (0.37) CCNE1CDK2

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 1063/4885SCN9A 1437/4885S1PR1 3181/4885

“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.