SCHEMBL2196334

SCHEMBL2196334

Fc1cnc(Cl)nc1-c1cnc2c(C(F)(F)F)cccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NFKB1 P19838 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB2 Q00653 2/20 0.36
KMT2A Q03164 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP7 Q93009 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RPS6KA5 O75582 1/20 0.33
PPARG P37231 1/20 0.31

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
SCHEMBL3313213 0.85 MAPT (0.40) IDO1MAPTKDM4EMEN1NPC1
SCHEMBL2197585 0.84 MAPT (0.39) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL2198428 0.80 MAPT (0.36) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL2197833 0.79 POLB (0.36) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL2196399 0.78 NR1I2 (0.37) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL3312533 0.76 IGF1R (0.44) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL700990 0.75 FLT3 (0.52) MAPTNPC1RAB9A
SCHEMBL3314178 0.74 FLT3 (0.46)
SCHEMBL3314823 0.74 IGF1R (0.38) IDO1MAPTKDM4EMEN1NPC1
SCHEMBL30655826 0.73 KDM4E (0.46) IDO1MAPTKDM4EMEN1NPC1

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 IDO1 1979/4885MAPT 2348/4885KDM4E 1233/4885

“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.