SCHEMBL2201044

SCHEMBL2201044

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C5(O)CCNCC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
IGF1R P08069 3/20 0.32
MAPKAPK2 P49137 1/20 0.32
CDK2 P24941 4/20 0.32
RPS6KB1 P23443 1/20 0.32
CCNT1 O60563 3/20 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
CDK9 P50750 3/20 0.31
CCNH P51946 3/20 0.31
CCNA1 P78396 3/20 0.31
SYK P43405 1/20 0.30
EPHB3 P54753 1/20 0.30
SSTR4 P31391 2/20 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
SCHEMBL2195157 0.88 PLK1 (0.36) PLK1IGF1RCDK2
SCHEMBL3553941 0.85 CDK2 (0.44) PLK1IGF1RCDK2CCNT1CDK1
SCHEMBL3558617 0.84 PLK1 (0.39) PLK1IGF1RCDK2RPS6KB1CCNT1
SCHEMBL3546850 0.83 PLK1 (0.47) PLK1IGF1RCDK2RPS6KB1CDK1
SCHEMBL2200311 0.83 PLK1 (0.38) PLK1IGF1RCDK2RPS6KB1
SCHEMBL3550499 0.83 PLK1 (0.39) PLK1RPS6KB1
SCHEMBL4257883 0.83 ALDH1A1 (0.43) PLK1IGF1RCDK2RPS6KB1CDK1
SCHEMBL3546619 0.83 PLK1 (0.39) PLK1IGF1RCDK2RPS6KB1CDK1
SCHEMBL2198639 0.82 HDAC3 (0.39) PLK1IGF1RCDK2
SCHEMBL2199169 0.82 PLK1 (0.43) PLK1IGF1RCDK2RPS6KB1CDK1

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 812/4885MAPKAPK2 540/4885

“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.