SCHEMBL2199086

SCHEMBL2199086

CCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(O)C5CCN(C(=O)OCc6ccccc6)CC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.39
PLK1 P53350 3/20 0.36
GRIN2B Q13224 4/20 0.36
IGF1R P08069 2/20 0.36
CDK2 P24941 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
LCK P06239 1/20 0.35

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
SCHEMBL2196506 0.93 LCK (0.42) IDH1PLK1GRIN2BIGF1RCDK2
SCHEMBL2200541 0.90 IDH1 (0.37) IDH1PLK1GRIN2BIGF1RCDK2
SCHEMBL2199039 0.88 HDAC3 (0.39) IDH1PLK1IGF1RCDK2HDAC3
SCHEMBL2195991 0.87 GRIN2B (0.39) IDH1PLK1GRIN2BIGF1RCDK2
SCHEMBL2226580 0.87 PLK1 (0.38) IDH1PLK1IGF1RCDK2MAPK8
SCHEMBL2227194 0.86 TYRO3 (0.39) IDH1PLK1IGF1RCDK2MAPK8
SCHEMBL2195522 0.85 PLK1 (0.39) IDH1PLK1IGF1RCDK2MAPK8
SCHEMBL2198070 0.85 PLK1 (0.38) IDH1PLK1IGF1RCDK2MAPK8
SCHEMBL2199082 0.84 PLK1 (0.36) IDH1PLK1IGF1RCDK2MAPK8
SCHEMBL2198896 0.84 PLK1 (0.38) IDH1PLK1IGF1RCDK2CTSL

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 IDH1 519/4885PLK1 1/4885GRIN2B 2124/4885

“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.