SCHEMBL13648978

SCHEMBL13648978

COc1ccc(CNS(=O)(=O)c2ccc(Nc3ncc(Br)c(NCCO)n3)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.49
▸ CA2 P00918 4/20 0.46
▸ LARS1 Q9P2J5 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ CDK1 P06493 7/20 0.44
▸ CDK2 P24941 6/20 0.44
▸ KDR P35968 5/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CDK7 P50613 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ CCND1 P24385 1/20 0.44
▸ CCNH P51946 1/20 0.44
▸ SYK P43405 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 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
SCHEMBL4064864 0.85 CDK1 (0.50) CA2LARS1CDK1CDK2KDR
SCHEMBL4066912 0.77 SYK (0.51) CA2CDK1CDK2KDRCDK4
SCHEMBL4061169 0.76 CA2 (0.70) PTK2CA2IGF1RCDK1CDK2
SCHEMBL14498931 0.76 CA2 (0.72) PTK2CA2CDK1CDK2KDR
SCHEMBL14524404 0.73 SYK (0.49) CA2CDK1CDK2KDRCDK4
SCHEMBL14498942 0.73 CA2 (0.49) CA2CDK1CDK2KDRCDK4
SCHEMBL4062771 0.73 CA2 (0.54) PTK2CA2CDK1CDK2KDR
SCHEMBL4065206 0.73 CDK1 (0.62) CA2CDK1CDK2KDRCDK4
SCHEMBL4060935 0.72 CDK1 (0.64) CA2CDK1CDK2KDRCDK4
SCHEMBL4059738 0.72 CDK1 (0.69) CA2CDK1CDK2KDRCDK4

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 2 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-20080039447-A1 CDK-Inhibitory pyrimidines, their production and use as pharmaceutical agents BRUMBY THOMAS 2008-02-14 — — 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 PTK2 1264/4885CA2 4201/4885LARS1 2427/4885

“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.

Send feedback