SCHEMBL2198053

SCHEMBL2198053

CC(C)N1CCC(C(O)c2ccc([C@H](C)Nc3ncc(C#N)c(-c4cnc5c(C(F)F)cccn45)n3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
IGF1R P08069 2/20 0.34
IDH1 O75874 2/20 0.33
CDK2 P24941 2/20 0.33
JUN P05412 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL2197910 0.89 PLK1 (0.38) PLK1TYRO3MERTKIGF1RIDH1
SCHEMBL3553485 0.88 PLK1 (0.36) PLK1TYRO3MERTKIGF1RIDH1
SCHEMBL2225898 0.87 PLK1 (0.36) PLK1IGF1RIDH1CDK2
SCHEMBL3549480 0.85 PLK1 (0.38) PLK1IGF1RIDH1CDK2
SCHEMBL3546784 0.84 PLK1 (0.45) PLK1IGF1RIDH1CDK2
SCHEMBL3543384 0.84 PLK1 (0.36) PLK1TYRO3MERTKIGF1RIDH1
SCHEMBL2195826 0.84 IGF1R (0.38) PLK1TYRO3MERTKIGF1RIDH1
SCHEMBL2199282 0.84 IGF1R (0.39) PLK1TYRO3MERTKIGF1RIDH1
SCHEMBL3554986 0.83 PLK1 (0.38) PLK1IGF1RIDH1CDK2
SCHEMBL2197872 0.83 PLK1 (0.38) PLK1TYRO3MERTKIGF1RIDH1

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.