SCHEMBL4018945

SCHEMBL4018945

C#CCOc1nc(Nc2ccc(O)cc2)ncc1F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.57
SYK P43405 4/20 0.57
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL4026180 0.85 AURKA (0.57) AURKASYKCDK1CDK2KDR
SCHEMBL4018601 0.85 CDK1 (0.50) AURKASYKCDK1CDK2KDR
SCHEMBL13648557 0.77 AURKA (0.68) AURKASYKCDK1CDK2
SCHEMBL655345 0.73 AURKA (1.00) AURKASYKCDK1CDK2KDR
SCHEMBL13897810 0.71 TRPV1 (0.46) CDK1CDK2KDR
SCHEMBL13901470 0.71 TRPV1 (0.46) AURKACDK1CDK2KDR
SCHEMBL22430859 0.71 MAPK1 (0.52) CDK1CDK2KDR
SCHEMBL13897762 0.71 CDK1 (0.66) AURKACDK1CDK2KDR
SCHEMBL13897656 0.71 CDK1 (0.49) CDK1CDK2KDR
SCHEMBL13648554 0.71 SYK (0.60) SYKCDK1CDK2KDR

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 5 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
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 AURKA 103/4885SYK 2576/4885CDK1 2/4885

“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.