SCHEMBL12439844

SCHEMBL12439844

N/C(=N\O)c1cc(-c2ccccc2F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
FEN1 P39748 7/20 0.40
ALOX5AP P20292 5/20 0.40
BACE1 P56817 1/20 0.39
TGFBR1 P36897 1/20 0.39
CDC7 O00311 1/20 0.39
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
KDM1A O60341 3/20 0.37
ACMSD Q8TDX5 1/20 0.37
TRPA1 O75762 1/20 0.36
PLAU P00749 1/20 0.36

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
SCHEMBL1936004 1.00 MAP4K4 (0.40) MAP4K4FEN1ALOX5APBACE1TGFBR1
SCHEMBL1935089 0.84 SCN9A (0.46) FEN1ALOX5APKDM1ATRPA1
SCHEMBL12439814 0.84 SCN9A (0.46) FEN1ALOX5APKDM1ATRPA1
SCHEMBL15237942 0.82 LCK (0.40) FEN1ALOX5APBACE1TGFBR1KDM1A
SCHEMBL1935139 0.82 LCK (0.40) FEN1ALOX5APBACE1TGFBR1KDM1A
SCHEMBL12439835 0.82 LCK (0.40) FEN1ALOX5APBACE1TGFBR1KDM1A
SCHEMBL1934839 0.81 SCN9A (0.48) FEN1ALOX5APBACE1TGFBR1TRPA1
SCHEMBL12439746 0.81 SCN9A (0.48) FEN1ALOX5APBACE1TGFBR1TRPA1
SCHEMBL12439757 0.81 SLC9A1 (0.40) BACE1TGFBR1PLAU
SCHEMBL1934808 0.79 SCN9A (0.52) FEN1ALOX5APTRPA1

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-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

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 MAP4K4 1628/4885FEN1 3369/4885ALOX5AP 579/4885

“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.