SCHEMBL2199720

SCHEMBL2199720

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1ccc([C@@H](O)CNC(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.34
AR P10275 1/20 0.31
IGF1R P08069 2/20 0.31
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
MAOA P21397 1/20 0.30
HTR2B P41595 1/20 0.30
CDK2 P24941 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
SCHEMBL2196724 1.00 PLK1 (0.34) PLK1ARIGF1RHTR1AADRA2A
SCHEMBL2196577 1.00 PLK1 (0.34) PLK1ARIGF1RHTR1AADRA2A
SCHEMBL2198544 0.90 PLK1 (0.35) PLK1ARIGF1RHTR1AADRA2A
SCHEMBL4258682 0.89 IGF1R (0.35) PLK1IGF1RHTR1AADRA2AADRA2B
SCHEMBL2200557 0.89 IGF1R (0.35) PLK1IGF1RHTR1AADRA2AADRA2B
SCHEMBL2197154 0.89 IGF1R (0.35) PLK1IGF1RHTR1AADRA2AADRA2B
SCHEMBL2198357 0.89 IGF1R (0.35) PLK1IGF1RHTR1AADRA2AADRA2B
SCHEMBL2197396 0.89 IDH1 (0.33) IGF1RCDK2
SCHEMBL19951497 0.89 PLK1 (0.34) PLK1IGF1RHTR1AADRA2AADRA2B
SCHEMBL2199108 0.89 PLK1 (0.34) PLK1IGF1RHTR1AADRA2AADRA2B

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-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP 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
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 1/4885AR 2385/4885IGF1R 812/4885

“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.