SCHEMBL2199754

SCHEMBL2199754

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C5(O)CCN(C(=O)O)C5Cc5ccccc5)cc4)ncc3C#N)cnc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
IGF1R P08069 3/20 0.35
CDK2 P24941 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
IDH1 O75874 6/20 0.32
CDK1 P06493 1/20 0.31
KDR P35968 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL2198643 0.89 PLK1 (0.35) PLK1IGF1RCDK2HDAC8IDH1
SCHEMBL2195990 0.81 PLK1 (0.37) PLK1IGF1RCDK2HDAC8IDH1
SCHEMBL2198639 0.81 HDAC3 (0.39) PLK1IGF1RCDK2HDAC8IDH1
SCHEMBL2199750 0.80 HDAC3 (0.37) PLK1IGF1RCDK2HDAC8IDH1
SCHEMBL2195157 0.80 PLK1 (0.36) PLK1IGF1RCDK2
SCHEMBL2197483 0.79 HDAC8 (0.41) PLK1IGF1RCDK2HDAC8CDK1
SCHEMBL2198193 0.79 PLK1 (0.37) PLK1IGF1RCDK2HDAC8CDK1
SCHEMBL3546850 0.79 PLK1 (0.47) PLK1IGF1RCDK2IDH1CDK1
SCHEMBL2201044 0.78 PLK1 (0.36) PLK1IGF1RCDK2CDK1
SCHEMBL3558801 0.78 PLK1 (0.38) PLK1IGF1RCDK2HDAC8IDH1

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.