SCHEMBL4020087

SCHEMBL4020087

CC(C)[C@H](CO)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1I

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.63
CDK1 P06493 16/20 0.63
KDR P35968 11/20 0.63
CA2 P00918 4/20 0.63
CDK4 P11802 2/20 0.63
CDK7 P50613 2/20 0.63
CDK9 P50750 2/20 0.63
CCNT1 O60563 1/20 0.63
CCND1 P24385 1/20 0.63
CCNH P51946 1/20 0.63
CCNB1 P14635 2/20 0.62
CCNE1 P24864 2/20 0.62
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CLK1 P49759 1/20 0.47
RAB9A P51151 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47

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
SCHEMBL5174690 1.00 CDK2 (0.63) CDK2CDK1KDRCA2CDK4
SCHEMBL3931675 0.90 CDK1 (0.56) CDK2CDK1KDRCA2CDK4
SCHEMBL13648442 0.88 CDK2 (0.64) CDK2CDK1KDRCA2CDK4
SCHEMBL4057630 0.88 CDK1 (0.80) CDK2CDK1KDRCA2CDK4
SCHEMBL4063258 0.88 CDK1 (0.80) CDK2CDK1KDRCA2CDK4
SCHEMBL5175505 0.88 CDK2 (0.63) CDK2CDK1KDRCA2CDK4
SCHEMBL4017020 0.88 CDK2 (0.63) CDK2CDK1KDRCA2CDK4
SCHEMBL13648651 0.88 CDK2 (0.63) CDK2CDK1KDRCA2CDK4
SCHEMBL4579849 0.84 CDK1 (0.44) CDK2CDK1KDRCA2CDK4
SCHEMBL4020090 0.83 CDK1 (0.58) CDK2CDK1KDRCA2CDK4

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-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP claimed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 US disclosed
EP-1392662-B1 CDK INHIBITING PYRIMIDINES, PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2009-01-07 EP disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 US disclosed
US-7291624-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-11-06 US disclosed
US-7235561-B2 Compound and a composition including such a compound SCHERING AG (DE) 2007-06-26 US disclosed

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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents CDK2, CDK1, CDK6 CDK2 1/4885CDK1 2/4885KDR 1504/4885

“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.