SCHEMBL1935306

SCHEMBL1935306

COc1ccc(C(F)(F)F)c(-c2ccnc(-c3noc(=O)[nH]3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAT2A P31153 1/20 0.39
TEK Q02763 1/20 0.39
MAPKAPK2 P49137 3/20 0.37
KMO O15229 1/20 0.37
EDNRB P24530 3/20 0.37
EDNRA P25101 3/20 0.37
CDC7 O00311 2/20 0.36
ROS1 P08922 1/20 0.35
PLA2G2A P14555 1/20 0.35
DYRK1A Q13627 1/20 0.35
TGFBR1 P36897 2/20 0.34
CBFB Q13951 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
SCHEMBL1935554 0.92 ALDH1A1 (0.40) ALDH1A1MAT2ATEKMAPKAPK2KMO
SCHEMBL12439894 0.86 KMO (0.39) ALDH1A1MAPKAPK2KMOEDNRBEDNRA
SCHEMBL12439874 0.85 TRPA1 (0.40) ALDH1A1MAPKAPK2KMOEDNRBEDNRA
SCHEMBL1934821 0.85 MAPKAPK2 (0.40) ALDH1A1MAPKAPK2KMOEDNRBEDNRA
SCHEMBL1935092 0.82 TGFBR1 (0.47) KMOTGFBR1
SCHEMBL1935304 0.81 TEK (0.39) MAT2ATEKMAPKAPK2CDC7ROS1
SCHEMBL1935547 0.78 ALOX5AP (0.40) ALDH1A1MAPKAPK2KMOEDNRBEDNRA
SCHEMBL12439881 0.78 TRPA1 (0.40) MAPKAPK2KMO
SCHEMBL12439856 0.78 TGFBR1 (0.40) MAPKAPK2KMODYRK1ATGFBR1
SCHEMBL12439870 0.78 KMO (0.44) MAPKAPK2KMOTGFBR1

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 5 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
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 ALDH1A1 1457/4885MAT2A 3998/4885TEK 4655/4885

“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.