SCHEMBL487400

SCHEMBL487400

CNCc1cnc(Br)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

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
PRMT6 Q96LA8 2/20 0.33
EPHX2 P34913 1/20 0.33
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ADRB2 P07550 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
PIM1 P11309 1/20 0.30
SLC6A4 P31645 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
SCHEMBL19831178 0.79 RXRA (0.35) KDM4EMAPTNOS1NOS2
SCHEMBL487533 0.78 NTRK1 (0.33) NTRK1KITFLT3MAP4K1PRMT6
SCHEMBL3586153 0.76
SCHEMBL15895190 0.76
SCHEMBL22031726 0.75 RXRA (0.35)
SCHEMBL3577162 0.75
SCHEMBL16619402 0.72 SLC6A4 (0.36) NTRK1KITFLT3MAP4K1PRMT6
SCHEMBL29843355 0.72 NTRK1 (0.34) NTRK1KITFLT3MAP4K1CYP3A4
SCHEMBL19949144 0.72 NTRK1 (0.34) NTRK1KITFLT3MAP4K1CYP3A4
SCHEMBL17176781 0.69 LOXL2 (0.39) PRMT6CYP3A4KDM4EMAPTNOS1

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
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

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.