SCHEMBL5725535

SCHEMBL5725535

CC(C)(C)c1cnc(/C=C/c2cnc(NC(=O)Nc3ccccn3)s2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.46
CDK2 P24941 6/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
MAPK14 Q16539 5/20 0.42
MAPK13 O15264 3/20 0.41
CCNB2 O95067 4/20 0.41
CCNE2 O96020 4/20 0.41
CDK1 P06493 4/20 0.41
CCNB1 P14635 4/20 0.41
CCNE1 P24864 4/20 0.41
CCNB3 Q8WWL7 4/20 0.41
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL5725547 1.00 FLT3 (0.46) FLT3CDK2CDK7CDK9MAPK14
SCHEMBL6249487 0.88 OGA (0.43) FLT3NPC1RAB9AOGAADORA3
SCHEMBL6249483 0.88 OGA (0.43) FLT3NPC1RAB9AOGAADORA3
SCHEMBL5725120 0.85 CDK2 (0.55) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5725111 0.85 CDK2 (0.55) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5725140 0.85 CDK2 (0.55) CDK2CDK7CDK9CCNB2CCNE2
SCHEMBL5725801 0.84 CDK2 (0.47) FLT3CDK2CDK7CDK9MAPK14
SCHEMBL5725830 0.84 CDK2 (0.47) FLT3CDK2CDK7CDK9MAPK14
SCHEMBL5726934 0.84 CDK2 (0.44) CDK2CDK7CDK9MAPK14MAPK13
SCHEMBL5726919 0.84 CDK2 (0.44) CDK2CDK7CDK9MAPK14MAPK13

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 FLT3 990/4885CDK2 2/4885CDK7 32/4885

“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.