SCHEMBL2198591

SCHEMBL2198591

CNC(C)(C)C(O)c1ccc([C@H](C)Nc2ncc(F)c(-c3cnc4c(Cl)cccn34)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.35
NTRK1 P04629 2/20 0.34
IGF1R P08069 2/20 0.34
CDK2 P24941 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2198555 0.89 IGF1R (0.38) IDH1NTRK1IGF1RCDK2KCNH2
SCHEMBL2195698 0.85 IGF1R (0.36) IDH1NTRK1IGF1RCDK2KCNH2
SCHEMBL2196962 0.83 IGF1R (0.37) IDH1NTRK1IGF1R
SCHEMBL5069001 0.83 IDH1 (0.37) IDH1NTRK1IGF1R
SCHEMBL2195588 0.83 IGF1R (0.33) IDH1NTRK1IGF1R
SCHEMBL2198692 0.83 IDH1 (0.36) IDH1NTRK1IGF1R
SCHEMBL2200659 0.82 IGF1R (0.35) IDH1NTRK1IGF1RCDK2
SCHEMBL2198831 0.81 IDH1 (0.37) IDH1IGF1R
SCHEMBL3558543 0.81 IGF1R (0.37) IDH1IGF1R
SCHEMBL2196052 0.80 TYRO3 (0.38) IDH1IGF1RCDK2

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 IDH1 519/4885NTRK1 1678/4885IGF1R 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.