SCHEMBL487533

SCHEMBL487533

CNCc1cnc(Cl)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.33
KIT P10721 2/20 0.33
FLT3 P36888 2/20 0.33
MAP4K1 Q92918 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
SLC6A4 P31645 5/20 0.33
HTR2A P28223 4/20 0.33
HTR2C P28335 2/20 0.33
EPHX2 P34913 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 3/20 0.32
SLC6A2 P23975 1/20 0.32
MCL1 Q07820 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
METAP2 P50579 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2420112 0.81 SLC6A4 (0.40) SLC6A4HTR2AKDM4ECYP3A4MAPT
SCHEMBL6468592 0.79 TLR7 (0.38) TLR7KDM4EALDH1A1PKM
SCHEMBL487400 0.78 NTRK1 (0.33) NTRK1KITFLT3MAP4K1SLC6A4
SCHEMBL10483908 0.77 MC4R (0.39) KDM4ECYP3A4
SCHEMBL487436 0.76 TLR7 (0.33) TLR7
SCHEMBL740237 0.76 EGLN2 (0.33) TLR7KCNH2
SCHEMBL7995446 0.76 CYP1A2 (0.32) CYP3A4
SCHEMBL13548295 0.76 RAB9A (0.45) TLR7KDM4EALDH1A1PKM
SCHEMBL30309996 0.75
SCHEMBL22886234 0.75

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
EP-2004606-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2007115643-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 NTRK1 3403/4885KIT 4803/4885FLT3 4613/4885

“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.