SCHEMBL1934823

SCHEMBL1934823

O=c1nc(-c2cc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)ccn2)[nH]o1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
TGFBR1 P36897 3/20 0.36
CYP2C9 P11712 2/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.36
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
DYRK1A Q13627 2/20 0.34
GSK3B P49841 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CBFB Q13951 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
PTGES O14684 2/20 0.33
KMO O15229 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL1935549 0.91 ALOX5AP (0.40) JAK2MAPKAPK2TGFBR1CYP2C9SCN9A
SCHEMBL1935744 0.89 TRPA1 (0.43) MAPKAPK2TGFBR1SCN9APTGESKMO
SCHEMBL2221769 0.89 MPL (0.41) MAPKAPK2TGFBR1SCN9APARP1PARP10
SCHEMBL1935205 0.88 JAK2 (0.40) JAK2MAPKAPK2TGFBR1PARP1PARP10
SCHEMBL1935091 0.86 TGFBR1 (0.47) TGFBR1SCN9AKMONOTUM
SCHEMBL1935304 0.85 TEK (0.39) MAPKAPK2TGFBR1CYP3A4CBFBPTGES
SCHEMBL2338600 0.83 NOS3 (0.40) PARP1PARP10DYRK1AGSK3BCBFB
SCHEMBL1935750 0.82 KMO (0.45) TGFBR1PARP1PARP10GSK3BKMO
SCHEMBL2218335 0.82 TRPA1 (0.43) TGFBR1
SCHEMBL2218705 0.81 KDM4C (0.38) JAK2MAPKAPK2TGFBR1SCN9APARP10

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 JAK2 1777/4885MAPKAPK2 2250/4885TGFBR1 2587/4885

“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.