SCHEMBL1385780

SCHEMBL1385780

FC[CH]c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.50
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 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
SCHEMBL5375815 0.82 NFE2L2 (0.50) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23457281 0.82 NFE2L2 (0.50) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8106391 0.77 NFE2L2 (0.46) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL18243918 0.77 NFE2L2 (0.46) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27873370 0.76 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3298105 0.75 NFE2L2 (0.58) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL434482 0.75 NFE2L2 (0.44) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15157641 0.72 GRIN2D (0.49) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23457275 0.71 NFE2L2 (0.56) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL319771 0.71 NFE2L2 (0.54) NFE2L2GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4818110-B2 2011-11-16 JP claimed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP claimed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US claimed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO claimed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 US claimed
US-7947833-B2 methods that are useful in the preparation of amidophenyl-sulfonylamino-quinoxaline compounds CCK2 modulators are disclosed by sulfonylation JANSSEN PHARMACEUTICA NV (BE) 2011-05-24 US disclosed
US-7563895-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-21 US disclosed
EP-1651621-B1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-06 EP disclosed
US-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
US-20080076918-A1 QUINOXALINE COMPOUNDS ALLISON BRETT D 2008-03-27 US disclosed
US-7304051-B2 Quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 US disclosed
US-7288651-B2 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 US disclosed
EP-1651622-B1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2007-02-07 EP disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP disclosed
EP-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 EP disclosed
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
WO-2005016897-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
WO-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO disclosed
US-20050038032-A1 Quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 US 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-20080103300-A1 PREPARATION OF QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR NFE2L2 578/4885GRIN2D 248/4885GRIN3B 334/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR NFE2L2 578/4885GRIN2D 248/4885GRIN3B 334/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR NFE2L2 41/4885GRIN2D 1091/4885GRIN3B 992/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR NFE2L2 41/4885GRIN2D 1091/4885GRIN3B 992/4885

“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.