SCHEMBL2220256

SCHEMBL2220256

O=c1nc(-c2cc(-c3cccc(C(F)(F)F)c3F)ccn2)[nH]o1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.40
MPL P40238 3/20 0.40
SCN9A Q15858 1/20 0.36
GRIN2B Q13224 6/20 0.36
GRIN1 Q05586 5/20 0.36
IDH1 O75874 4/20 0.34
KMO O15229 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL1935091 0.90 TGFBR1 (0.47) TGFBR1SCN9AKMOPIK3R1PIK3CA
SCHEMBL1934340 0.84 TRPA1 (0.44) TGFBR1SCN9APDE3BPDE3A
SCHEMBL1936339 0.84 TRPA1 (0.44) TGFBR1SCN9AKMOPDE3BPDE3A
SCHEMBL1935744 0.83 TRPA1 (0.43) TGFBR1SCN9AKMOPDE3BPDE3A
SCHEMBL2218335 0.83 TRPA1 (0.43) TGFBR1PDE3BPDE3A
SCHEMBL2221789 0.81 ABL1 (0.40) TGFBR1SCN9AKMO
SCHEMBL1935060 0.81 TGFBR1 (0.44) TGFBR1PIK3R1PIK3CA
SCHEMBL1935549 0.81 ALOX5AP (0.40) TGFBR1SCN9APDE3BPDE3A
SCHEMBL1934823 0.81 JAK2 (0.39) TGFBR1SCN9AKMO
SCHEMBL1934736 0.81 KMO (0.46) MPLGRIN2BGRIN1KMOPDE3B

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 2 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

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 TGFBR1 2587/4885MPL 3986/4885SCN9A 3140/4885

“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.