SCHEMBL5724972

SCHEMBL5724972

CC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3ccc(C(N)=O)cc3)s2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.52
CDK7 P50613 3/20 0.52
CDK9 P50750 3/20 0.52
CCNE1 P24864 6/20 0.46
CCNE2 O96020 5/20 0.46
CCNB2 O95067 3/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNB3 Q8WWL7 3/20 0.46
CDK4 P11802 3/20 0.46
CCND1 P24385 3/20 0.46
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL5724979 1.00 CDK2 (0.52) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5725346 0.91 CDK2 (0.53) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5725355 0.91 CDK2 (0.53) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5726175 0.90 CDK2 (0.45) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5726158 0.90 CDK2 (0.45) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5727331 0.89 CDK2 (0.46) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5727324 0.89 CDK2 (0.46) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5726298 0.89 CDK2 (0.50) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5726308 0.89 CDK2 (0.50) CDK2CDK7CDK9CCNE1CCNE2
SCHEMBL5726720 0.88 CDK2 (0.53) CDK2CDK7CDK9CCNE1CCNE2

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.