SCHEMBL2199959

SCHEMBL2199959

CNCC(O)c1ccc([C@H](C)Nc2ncc(C#N)c(-c3cnc4c(C)cccn34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.37
IGF1R P08069 3/20 0.33
CDK2 P24941 1/20 0.32
RPS6KB1 P23443 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CDK1 P06493 1/20 0.31
KDR P35968 1/20 0.31
VNN1 O95497 2/20 0.30
FLT3 P36888 1/20 0.30

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
SCHEMBL2198544 0.91 PLK1 (0.35) PLK1IGF1RCDK2RPS6KB1CDK1
SCHEMBL2197483 0.89 HDAC8 (0.41) PLK1IGF1RCDK2RPS6KB1HDAC8
SCHEMBL2197631 0.89 PLK1 (0.36) PLK1IGF1RCDK2RPS6KB1HDAC8
SCHEMBL3558617 0.88 PLK1 (0.39) PLK1IGF1RCDK2RPS6KB1ALDH1A1
SCHEMBL3558801 0.87 PLK1 (0.38) PLK1IGF1RCDK2RPS6KB1HDAC8
SCHEMBL2199169 0.87 PLK1 (0.43) PLK1IGF1RCDK2RPS6KB1HDAC8
SCHEMBL2199778 0.87 PLK1 (0.38) PLK1IGF1RCDK2RPS6KB1ALDH1A1
SCHEMBL3546850 0.87 PLK1 (0.47) PLK1IGF1RCDK2RPS6KB1ALDH1A1
SCHEMBL2197926 0.86 PLK1 (0.37) PLK1IGF1RCDK2RPS6KB1ALDH1A1
SCHEMBL3550499 0.86 PLK1 (0.39) PLK1RPS6KB1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977336-B2 Aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO. LTD (JP) 2011-07-12 US disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 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-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 PLK1 1/4885IGF1R 812/4885CDK2 23/4885

“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.