SCHEMBL2198186

SCHEMBL2198186

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(O)[C@@H]5CCCN5C(=O)OCc5ccccc5)cc4)ncc3C#N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.39
PREP P48147 4/20 0.37
IDH1 O75874 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IGF1R P08069 3/20 0.34
CDK2 P24941 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GFER P55789 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
PPARG P37231 2/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL2195991 0.86 GRIN2B (0.39) PLK1IDH1IGF1RCDK2
SCHEMBL2199278 0.84 PLK1 (0.38) PLK1IDH1IGF1RCDK2
SCHEMBL2228513 0.84 PLK1 (0.38) PLK1IDH1IGF1RCDK2
SCHEMBL2224228 0.84 PLK1 (0.38) PLK1IDH1IGF1RCDK2
SCHEMBL2198639 0.82 HDAC3 (0.39) PLK1IDH1L3MBTL1IGF1RCDK2
SCHEMBL2199086 0.82 IDH1 (0.39) PLK1IDH1IGF1RCDK2MAPK8
SCHEMBL2196506 0.82 LCK (0.42) PLK1IDH1IGF1RCDK2MAPK8
SCHEMBL2199750 0.81 HDAC3 (0.37) PLK1IDH1L3MBTL1IGF1RCDK2
SCHEMBL2197483 0.80 HDAC8 (0.41) PLK1IGF1RCDK2
SCHEMBL2228671 0.78 PLK1 (0.37) PLK1IDH1IGF1RCDK2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114942-B1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS MSD KK (JP) 2012-10-31 EP disclosed
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 1/4885PREP 3410/4885IDH1 519/4885

“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.