SCHEMBL1893398

SCHEMBL1893398

COC(=O)c1ccc(C#N)cc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAP2K1 Q02750 2/20 0.33
MAPT P10636 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CCR2 P41597 2/20 0.32
ACLY P53396 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A9 P48067 1/20 0.32
GPR27 Q9NS67 1/20 0.32
CCKBR P32239 3/20 0.31
CMA1 P23946 1/20 0.31
TRIM24 O15164 1/20 0.30

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
SCHEMBL3746615 0.87 KDM4E (0.37) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1891226 0.86 KCNH2 (0.39) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3745614 0.86 CCKBR (0.43) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3744902 0.86 CMA1 (0.41) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3900552 0.84 KMT2A (0.44) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL1891320 0.84 MCL1 (0.40) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3746122 0.82 KDM4E (0.36) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL3747308 0.77 ACLY (0.47) KDM4EHSD17B10ALDH1A1HPGDACLY
SCHEMBL3911108 0.75 ACLY (0.38) KDM4EHSD17B10ALDH1A1CCR2ACLY
SCHEMBL3746024 0.75 ACLY (0.41) KDM4ESMN1; SMN2ALDH1A1CCR2ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1651622-A1 PROCESS FOR THE PREPARATION OF 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2006-05-03 EP disclosed
EP-1651621-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS 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-2005016896-A1 2- (QUINOXALIN-5-YLSULFONYLAMINO) -BENZAMIDE COMPOUNDS AS CCK2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 WO 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
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 KDM4E 3167/4885HSD17B10 3908/4885SMN1; SMN2 2356/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR KDM4E 3167/4885HSD17B10 3908/4885SMN1; SMN2 2356/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR KDM4E 3681/4885HSD17B10 2828/4885SMN1; SMN2 1057/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR KDM4E 3681/4885HSD17B10 2828/4885SMN1; SMN2 1057/4885

“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.