SCHEMBL5725342

SCHEMBL5725342

CN(C)CCOC(=O)c1ccc(NC(=O)Nc2ncc(C=Cc3ncc(C(C)(C)C)o3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.46
CDK7 P50613 3/20 0.46
CDK9 P50750 3/20 0.46
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNE1 P24864 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAPK14 Q16539 1/20 0.40
LMNA P02545 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
DRD4 P21917 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL5725331 1.00 CDK2 (0.46) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5726709 0.84 CDK2 (0.53) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5726720 0.84 CDK2 (0.53) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5725355 0.83 CDK2 (0.53) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5725346 0.83 CDK2 (0.53) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5724972 0.82 CDK2 (0.52) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5724979 0.82 CDK2 (0.52) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5726298 0.81 CDK2 (0.50) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5726308 0.81 CDK2 (0.50) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5725377 0.80 CDK2 (0.49) CDK2CDK7CDK9CCNB2CCNE2

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 6 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
EP-1087951-A4 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2002-08-14 EP claimed
EP-1087951-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-04 EP claimed
WO-1999065884-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-23 WO 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 2/4885CDK7 32/4885CDK9 24/4885

“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.