SCHEMBL2200780

SCHEMBL2200780

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
TYRO3 Q06418 4/20 0.33
MERTK Q12866 3/20 0.33
IGF1R P08069 2/20 0.33
CDK2 P24941 1/20 0.32
IDH1 O75874 2/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
DRD1 P21728 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
OPRM1 P35372 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
SCHEMBL2200622 0.89 TYRO3 (0.34) TYRO3MERTKIDH1USP2CYP1A2
SCHEMBL2196440 0.89 NTRK1 (0.35) TYRO3MERTKIDH1
SCHEMBL2197982 0.89 CDK2 (0.37) TYRO3MERTKIGF1RCDK2KCNH2
SCHEMBL2198544 0.89 PLK1 (0.35) PLK1IGF1RCDK2HTR1AADRA2A
SCHEMBL2200557 0.88 IGF1R (0.35) PLK1IGF1RCDK2HTR1AADRA2A
SCHEMBL2198357 0.88 IGF1R (0.35) PLK1IGF1RCDK2HTR1AADRA2A
SCHEMBL2197154 0.88 IGF1R (0.35) PLK1IGF1RCDK2HTR1AADRA2A
SCHEMBL4258682 0.88 IGF1R (0.35) PLK1IGF1RCDK2HTR1AADRA2A
SCHEMBL19951497 0.87 PLK1 (0.34) PLK1IGF1RCDK2IDH1HTR1A
SCHEMBL2199108 0.87 PLK1 (0.34) PLK1IGF1RCDK2IDH1HTR1A

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 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.