SCHEMBL2199735

SCHEMBL2199735

C[C@H](Nc1ncc(F)c(-c2cnc3c(Cl)cccn23)n1)c1ccc([C@H](O)CNC2(CO)CCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.34
IGF1R P08069 4/20 0.33
TRPV3 Q8NET8 1/20 0.33
FLT3 P36888 1/20 0.30
MAPK1 P28482 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
SCHEMBL2195666 0.91 IDH1 (0.35) IDH1IGF1RFLT3MAPK1
SCHEMBL4436243 0.91 IDH1 (0.35) IDH1IGF1RFLT3MAPK1
SCHEMBL2196962 0.87 IGF1R (0.37) IDH1IGF1RFLT3
SCHEMBL2199167 0.84 IDH1 (0.36) IDH1IGF1R
SCHEMBL2195698 0.84 IGF1R (0.36) IDH1IGF1R
SCHEMBL2195588 0.82 IGF1R (0.33) IDH1IGF1RFLT3
SCHEMBL2196439 0.79 IDH1 (0.35) IDH1IGF1RMAPK1
SCHEMBL2196446 0.79 IDH1 (0.35) IDH1IGF1RMAPK1
SCHEMBL2198188 0.79 IDH1 (0.35) IDH1IGF1RMAPK1
SCHEMBL2197134 0.79 IDH1 (0.35) IDH1IGF1RMAPK1

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 519/4885IGF1R 812/4885TRPV3 3175/4885

“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.