SCHEMBL1934736

SCHEMBL1934736

O=c1nc(-c2cc(-c3ccc(F)c(C(F)(F)F)c3)ccn2)[nH]o1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.46
MPL P40238 3/20 0.42
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GSK3B P49841 1/20 0.38
MAPK14 Q16539 1/20 0.38
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRM2 Q14416 2/20 0.35
SUCNR1 Q9BXA5 3/20 0.35
MAPKAPK2 P49137 1/20 0.34
AR P10275 1/20 0.34
GRM4 Q14833 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL1936339 0.83 TRPA1 (0.44) KMOPDE3BPDE3AMAPK14MAPKAPK2
SCHEMBL2218335 0.81 TRPA1 (0.43) PDE3BPDE3A
SCHEMBL1935744 0.81 TRPA1 (0.43) KMOPDE3BPDE3AMAPKAPK2
SCHEMBL2221769 0.81 MPL (0.41) MPLGRIN1GRIN2BMAPKAPK2
SCHEMBL1935091 0.81 TGFBR1 (0.47) KMO
SCHEMBL2218705 0.81 KDM4C (0.38) PDE3BPDE3AMAPKAPK2
SCHEMBL2220256 0.81 TGFBR1 (0.40) KMOMPLPDE3BPDE3AGRIN1
SCHEMBL1935750 0.80 KMO (0.45) KMOGSK3BMAPK14
SCHEMBL1935549 0.79 ALOX5AP (0.40) PDE3BPDE3AMAPKAPK2
SCHEMBL1934823 0.79 JAK2 (0.39) KMOGSK3BMAPKAPK2

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 KMO 632/4885MPL 3986/4885PDE3B 912/4885

“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.