SCHEMBL2307377

SCHEMBL2307377

CCNC(=O)c1cnc(Cl)nc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 15/20 0.61
ATF1 P18846 13/20 0.61
XPO1 O14980 4/20 0.60
JUN P05412 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
LMNA P02545 1/20 0.51

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
SCHEMBL7489466 0.89 NFKB1 (0.59) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL1821585 0.83 NFKB1 (0.57) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL15290081 0.81 NFKB1 (0.56) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL4745582 0.80 CNR2 (0.69) NFKB1ATF1XPO1LMNA
SCHEMBL6977551 0.80 NFKB1 (0.62) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL15273207 0.79 NFKB1 (0.54) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL6288528 0.79 ATF1 (0.68) NFKB1ATF1XPO1JUNNFKB2
SCHEMBL3380681 0.79 CNR2 (0.64) NFKB1ATF1XPO1
SCHEMBL3379524 0.79 CNR2 (0.64) NFKB1ATF1XPO1
SCHEMBL8518174 0.79 NFKB1 (0.62) NFKB1ATF1XPO1JUNNFKB2

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 3198/4885ATF1 2644/4885XPO1 4013/4885
US-20100216792-A1 Pesticidal arylpyrrolidines DDT, AADAC, AHR NFKB1 3198/4885ATF1 2644/4885XPO1 4013/4885
US-20150073139-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR NFKB1 2969/4885ATF1 3410/4885XPO1 4420/4885
US-20130310408-A1 Pesticidal Arylpyrrolidines DDT, ACHE, QDPR NFKB1 2969/4885ATF1 3410/4885XPO1 4420/4885

“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.