SCHEMBL2199778

SCHEMBL2199778

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(O)CN5CCCC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
CDK1 P06493 3/20 0.35
KDR P35968 3/20 0.35
IGF1R P08069 3/20 0.34
OPRK1 P41145 1/20 0.33
CDK2 P24941 1/20 0.33
KCNJ1 P48048 3/20 0.32
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
SMYD2 Q9NRG4 1/20 0.30
RPS6KB1 P23443 1/20 0.30
IDH1 O75874 1/20 0.30
FLT3 P36888 1/20 0.30
MAOB P27338 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
SCHEMBL2199959 0.87 PLK1 (0.37) PLK1CDK1KDRIGF1RCDK2
SCHEMBL2196305 0.87 PLK1 (0.37) PLK1CDK1KDRIGF1RCDK2
SCHEMBL2197483 0.86 HDAC8 (0.41) PLK1CDK1KDRIGF1RCDK2
SCHEMBL2197631 0.86 PLK1 (0.36) PLK1CDK1KDRIGF1RCDK2
SCHEMBL4264332 0.86 PLK1 (0.37) PLK1CDK1KDRIGF1RCDK2
SCHEMBL4262646 0.85 PLK1 (0.40) PLK1CDK1IGF1RCDK2IDH1
SCHEMBL2199185 0.85 PLK1 (0.40) PLK1CDK1IGF1RCDK2IDH1
SCHEMBL3558617 0.85 PLK1 (0.39) PLK1CDK1KDRIGF1RCDK2
SCHEMBL2198544 0.85 PLK1 (0.35) PLK1CDK1KDRIGF1RCDK2
SCHEMBL2199159 0.85 PLK1 (0.38) PLK1CDK1KDRIGF1RCDK2

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 1/4885CDK1 3/4885KDR 738/4885

“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.