SCHEMBL13648554

SCHEMBL13648554

C#CCOc1nc(Nc2cccc(O)c2)ncc1Br

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.60
MAPK8 P45983 1/20 0.48
CDK1 P06493 3/20 0.46
CDK2 P24941 3/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
KDR P35968 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13897817 0.86 SYK (0.52) SYKCDK1CDK2CCNB1CCNE1
SCHEMBL13897482 0.86 SYK (0.49) SYKMAPK8CDK1CDK2CCNB1
SCHEMBL4018601 0.85 CDK1 (0.50) SYKCDK1CDK2CCNB1CCNE1
SCHEMBL13897487 0.85 SYK (0.44) SYKMAPK8CDK1CDK2CCNB1
SCHEMBL3867551 0.84 CDK1 (0.45) SYKMAPK8CDK1CDK2CCNB1
SCHEMBL13897819 0.84 CDK2 (0.44) SYKMAPK8CDK1CDK2CCNB1
SCHEMBL3864714 0.82 CDK1 (0.43) SYKMAPK8CDK1CDK2CCNB1
SCHEMBL13897528 0.81 CDK2 (0.44) SYKMAPK8CDK1CDK2CCNB1
SCHEMBL13897744 0.81 MEN1 (0.67) CDK1CDK2CCNB1CCNE1EGFR
SCHEMBL13897837 0.81 RHOA (0.48) SYKMAPK8CDK1CDK2CCNB1

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 2576/4885MAPK8 496/4885CDK1 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.