SCHEMBL12439738

SCHEMBL12439738

N/C(=N\O)c1cc(Oc2ccccc2C(F)(F)F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.40
BRAF P15056 4/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS2 P35354 2/20 0.38
LTA4H P09960 1/20 0.38
RET P07949 2/20 0.37
P2RY1 P47900 1/20 0.36
AR P10275 3/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDR P35968 2/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL1935338 1.00 RAF1 (0.40) RAF1BRAFGAATDP1NPC1
SCHEMBL1936058 0.81 MAOB (0.51) KDRMAP4K4CSF1RMAOALIMK1
SCHEMBL12439741 0.81 MAOB (0.51) KDRMAP4K4CSF1RMAOALIMK1
SCHEMBL1934201 0.80 KDR (0.46) RAF1BRAFGAATDP1RET
SCHEMBL1934839 0.77 SCN9A (0.48) GAATDP1NPC1RAB9AAR
SCHEMBL12439746 0.77 SCN9A (0.48) GAATDP1NPC1RAB9AAR
SCHEMBL2335940 0.77 MAPT (0.40) RAF1GAAMEN1MAPK1KMT2A
SCHEMBL13028341 0.77 MAPT (0.40) RAF1GAAMEN1MAPK1KMT2A
SCHEMBL5318462 0.73 MAOB (0.47) GAALTA4HMEN1KMT2A
SCHEMBL23409791 0.73 RECQL (0.43) GAANPC1RAB9ASLC6A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 RAF1 1003/4885BRAF 1105/4885GAA 4246/4885

“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.