SCHEMBL5725537

SCHEMBL5725537

CC(C)Cc1cnc(/C=C/c2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.45
CCNE1 P24864 6/20 0.45
CDK1 P06493 4/20 0.45
CCNB1 P14635 4/20 0.45
CCNB2 O95067 3/20 0.45
CCNE2 O96020 3/20 0.45
CCNB3 Q8WWL7 3/20 0.45
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
CDK5 Q00535 3/20 0.37
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DDX3X O00571 1/20 0.33
CAPN1 P07384 1/20 0.32

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
SCHEMBL5725546 1.00 CDK2 (0.45) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL7501865 0.86 CCNE1 (0.45) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL6246901 0.84 CDK2 (0.47) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL6246897 0.84 CDK2 (0.47) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL5726837 0.83 CDK2 (0.59) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL5725410 0.83 CDK2 (0.59) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL5725418 0.83 CDK2 (0.59) CDK2CCNE1CDK1CCNB1CCNB2
SCHEMBL5725520 0.76 GSK3B (0.37) CDK2CCNE1CDK1CCNB1CDK4
SCHEMBL5724741 0.76
SCHEMBL5725724 0.73 CCNE1 (0.35) CDK2CCNE1CDK1CCNB1CCNE2

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 2/4885CCNE1 12/4885CDK1 10/4885

“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.