SCHEMBL5727331

SCHEMBL5727331

CC(C)(C)c1cnc(C=Cc2cnc(NC(=O)Nc3ccc(C(N)=O)cn3)s2)o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
EPHX2 P34913 1/20 0.41
CCNE2 O96020 6/20 0.39
CCNE1 P24864 6/20 0.39
CCNB2 O95067 4/20 0.39
CDK1 P06493 4/20 0.39
CCNB1 P14635 4/20 0.39
CCNB3 Q8WWL7 4/20 0.39
CDK4 P11802 4/20 0.39
CCND1 P24385 4/20 0.39
NNMT P40261 1/20 0.39
MAPK14 Q16539 4/20 0.38
MAPK13 O15264 2/20 0.38
KDR P35968 1/20 0.35
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34

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
SCHEMBL5727324 1.00 CDK2 (0.46) CDK2CDK7CDK9EPHX2CCNE2
SCHEMBL5725801 0.91 CDK2 (0.47) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5725830 0.91 CDK2 (0.47) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5724979 0.89 CDK2 (0.52) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5724972 0.89 CDK2 (0.52) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5725547 0.83 FLT3 (0.46) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5725535 0.83 FLT3 (0.46) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5726158 0.83 CDK2 (0.45) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5726175 0.83 CDK2 (0.45) CDK2CDK7CDK9CCNE2CCNE1
SCHEMBL5725346 0.82 CDK2 (0.53) CDK2CDK7CDK9EPHX2CCNE2

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 3 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

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.