SCHEMBL2199094

SCHEMBL2199094

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
IGF1R P08069 3/20 0.36
CDK2 P24941 4/20 0.35
VNN1 O95497 3/20 0.34
CCNT1 O60563 4/20 0.31
CDK9 P50750 4/20 0.31
CDK1 P06493 3/20 0.31
CCNB1 P14635 3/20 0.31
CCNA2 P20248 3/20 0.31
CDK7 P50613 3/20 0.31
CCNH P51946 3/20 0.31

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
SCHEMBL2200708 0.87 PLK1 (0.40) PLK1IGF1RCDK2
SCHEMBL2200194 0.81 VNN1 (0.36) PLK1IGF1RCDK2VNN1
SCHEMBL2196305 0.81 PLK1 (0.37) PLK1IGF1RCDK2VNN1CDK1
SCHEMBL2196754 0.81 PLK1 (0.39) PLK1IGF1RCDK2
SCHEMBL3558617 0.81 PLK1 (0.39) PLK1IGF1RCDK2VNN1CCNT1
SCHEMBL3546850 0.80 PLK1 (0.47) PLK1IGF1RCDK2CDK1
SCHEMBL4257883 0.79 ALDH1A1 (0.43) PLK1IGF1RCDK2CDK1
SCHEMBL3550499 0.79 PLK1 (0.39) PLK1
SCHEMBL3546619 0.79 PLK1 (0.39) PLK1IGF1RCDK2VNN1CDK1
SCHEMBL3558801 0.79 PLK1 (0.38) PLK1IGF1RCDK2CDK1

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.