SCHEMBL2198778

SCHEMBL2198778

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C4CC4)cccn23)n1)c1ccc(C(O)[C@]2(C)CCCN2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.36
TYRO3 Q06418 5/20 0.35
MERTK Q12866 4/20 0.35
IGF1R P08069 2/20 0.33
CDK2 P24941 1/20 0.32
AXL P30530 1/20 0.30
FLT3 P36888 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
SCHEMBL2197365 1.00 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2202182 1.00 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2197839 1.00 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2197872 0.83 PLK1 (0.38) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL5065506 0.83 PLK1 (0.38) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL3558549 0.82 PLK1 (0.41) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2200780 0.80 PLK1 (0.36) PLK1TYRO3MERTKIGF1RCDK2
SCHEMBL2196439 0.78 IDH1 (0.35) IGF1R
SCHEMBL2196446 0.78 IDH1 (0.35) IGF1R
SCHEMBL2198188 0.78 IDH1 (0.35) IGF1R

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 1/4885TYRO3 1652/4885MERTK 3411/4885

“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.