SCHEMBL2356362

SCHEMBL2356362

O=C1c2ccccc2C(=O)N1Cc1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.47
JUN P05412 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
XPO1 O14980 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM5 P41594 6/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP3 P42574 2/20 0.39
MAPT P10636 2/20 0.39
TYR P14679 1/20 0.38
ATF1 P18846 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL17396444 0.82 ALDH1A1 (0.46) NFKB1JUNNFKB2RELAALDH1A1
SCHEMBL542033 0.78 CNR2 (0.54) GRM5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21528071 0.72 CASP3 (0.57) ALDH1A1MEN1PKMKMT2AHTT
SCHEMBL2359979 0.72 MAPT (0.40) ALDH1A1MEN1PKMKMT2AGRM5
SCHEMBL11100770 0.69 CA12 (0.58) ALDH1A1MEN1PKMKMT2AGRM5
SCHEMBL23528010 0.69 KMT2A (0.50) ALDH1A1MEN1PKMKMT2AGRM5
SCHEMBL18669233 0.69 CHRM5 (0.50) ALDH1A1MEN1KMT2AGRM5HTT
SCHEMBL16635417 0.69 MAPT (0.40) NFKB1JUNNFKB2RELAALDH1A1
SCHEMBL6160194 0.68 KMT2A (0.53) NFKB1JUNNFKB2RELAALDH1A1
SCHEMBL24424828 0.68 TSHR (0.42) ALDH1A1MEN1PKMKMT2AHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-20150073139-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-12 US disclosed
US-20150011553-A1 Pesticidal Arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2015-01-08 US disclosed
US-8785647-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-22 US disclosed
US-20130310408-A1 Pesticidal Arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-21 US disclosed
US-8450483-B2 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2013-05-28 US disclosed
EP-2349994-A1 PESTICIDAL (HETERO) ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2011-08-03 EP disclosed
US-20100216792-A1 Pesticidal arylpyrrolidines BAYER CROPSCIENCE AG (DE) 2010-08-26 US disclosed
WO-2010043315-A1 PESTICIDAL (HETERO) ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-04-22 WO 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 (4 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-20150011553-A1 Pesticidal Arylpyrrolidines DDT, AADAC, AHR NFKB1 3198/4885JUN 4230/4885NFKB2 3819/4885
US-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR NFKB1 3198/4885JUN 4230/4885NFKB2 3819/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR NFKB1 2969/4885JUN 3577/4885NFKB2 3921/4885
US-20130310408-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR NFKB1 2969/4885JUN 3577/4885NFKB2 3921/4885

“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.