SCHEMBL2199185

SCHEMBL2199185

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(O)CC5CCN(C)CC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.40
IGF1R P08069 3/20 0.34
CDK2 P24941 3/20 0.34
IDH1 O75874 6/20 0.33
IDH2 P48735 4/20 0.33
SSTR4 P31391 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
CCNH P51946 2/20 0.33
VNN1 O95497 1/20 0.32
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
JAK1 P23458 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
SCHEMBL4262646 1.00 PLK1 (0.40) PLK1IGF1RCDK2IDH1IDH2
SCHEMBL2200311 0.91 PLK1 (0.38) PLK1IGF1RCDK2IDH1
SCHEMBL3550088 0.86 PLK1 (0.39) PLK1IGF1RCDK2IDH1CCNT1
SCHEMBL2195991 0.86 GRIN2B (0.39) PLK1IGF1RCDK2IDH1
SCHEMBL2199778 0.85 PLK1 (0.38) PLK1IGF1RCDK2IDH1CDK1
SCHEMBL2199959 0.85 PLK1 (0.37) PLK1IGF1RCDK2CDK1VNN1
SCHEMBL2197631 0.84 PLK1 (0.36) PLK1IGF1RCDK2CDK1VNN1
SCHEMBL2197483 0.84 HDAC8 (0.41) PLK1IGF1RCDK2CDK1
SCHEMBL2195990 0.84 PLK1 (0.37) PLK1IGF1RCDK2IDH1CDK1
SCHEMBL2228513 0.84 PLK1 (0.38) PLK1IGF1RCDK2IDH1CCNT1

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 6 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
EP-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS 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
WO-2008081910-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-10 WO 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.