SCHEMBL13648612

SCHEMBL13648612

CC(C)[C@H](CO)Nc1nc(Nc2cccc(CO)c2)ncc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.56
▸ JAK3 P52333 3/20 0.49
▸ JAK2 O60674 2/20 0.49
▸ CDK1 P06493 12/20 0.48
▸ CDK2 P24941 11/20 0.48
▸ KDR P35968 9/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CDK4 P11802 3/20 0.48
▸ CDK7 P50613 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CCNH P51946 1/20 0.48
▸ CCNB1 P14635 4/20 0.48
▸ CCNE1 P24864 4/20 0.48
▸ JAK1 P23458 2/20 0.46
▸ IGF1R P08069 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CCNB2 O95067 1/20 0.43

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
SCHEMBL13648626 0.85 GSK3B (0.53) SYKCDK1CDK2KDRCA2
SCHEMBL13648669 0.84 CDK1 (0.55) SYKJAK3JAK2CDK1CDK2
SCHEMBL4065817 0.84 CDK1 (0.55) JAK3JAK2CDK1CDK2KDR
SCHEMBL4065809 0.84 CDK1 (0.55) JAK3JAK2CDK1CDK2KDR
SCHEMBL13648611 0.84 CDK19 (0.60) SYKCDK1CDK2KDRCA2
SCHEMBL4057637 0.84 CDK1 (0.55) SYKJAK3JAK2CDK1CDK2
SCHEMBL13648614 0.83 CDK19 (0.48) SYKCDK1CDK2KDRCA2
SCHEMBL4068759 0.81 CDK1 (0.52) CDK1CDK2KDRCA2CDK4
SCHEMBL4068756 0.81 CDK1 (0.52) CDK1CDK2KDRCA2CDK4
SCHEMBL13648502 0.81 CDK1 (0.58) CDK1CDK2KDRCA2CDK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-7598260-B2 CDK-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-06 — — US disclosed
US-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — US 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-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
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 SYK 2576/4885JAK3 574/4885JAK2 521/4885

“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.

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