SCHEMBL1934820

SCHEMBL1934820

COc1ccc(-c2ccnc(C(N)=NO)c2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C1 Q04828 2/20 0.40
LIMK1 P53667 3/20 0.39
PLAU P00749 2/20 0.37
LIMK2 P53671 1/20 0.37
NTRK1 P04629 1/20 0.37
PIM1 P11309 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
EIF4E P06730 1/20 0.37
SCN9A Q15858 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
AKR1B10 O60218 1/20 0.35
CRHR1 P34998 1/20 0.35

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
SCHEMBL12439761 1.00 GAA (0.43) GAAAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL12439827 0.91 GAA (0.40) GAAPLAUNTRK1PIM1NPC1
SCHEMBL1935230 0.91 GAA (0.40) GAAPLAUNTRK1PIM1NPC1
SCHEMBL1935000 0.84 TRPA1 (0.43) GAAAKR1C3AKR1C2NPC1RAB9A
SCHEMBL12439786 0.84 TRPA1 (0.43) GAAAKR1C3AKR1C2NPC1RAB9A
SCHEMBL1934577 0.83 ALOX5AP (0.44) AKR1C3AKR1C2SCN9ADYRK1A
SCHEMBL12439755 0.83 ALOX5AP (0.44) AKR1C3AKR1C2SCN9ADYRK1A
SCHEMBL12439765 0.81 SCN9A (0.44) GAAAKR1C3AKR1C2NTRK1PIM1
SCHEMBL1935601 0.81 SCN9A (0.44) GAAAKR1C3AKR1C2NTRK1PIM1
SCHEMBL1934839 0.80 SCN9A (0.48) GAANPC1RAB9ASCN9A

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
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 GAA 4246/4885AKR1C3 475/4885AKR1C2 1383/4885

“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.