SCHEMBL4494743

SCHEMBL4494743

CC1COCCN1C(=O)c1ccc(Cl)cc1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
HCRTR1 O43613 7/20 0.43
HCRTR2 O43614 7/20 0.43
CYP3A4 P08684 7/20 0.43
ABL1 P00519 1/20 0.43
KCNK3 O14649 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4693862 1.00 CCKBR (0.51) CCKBRKDM4EALDH1A1TDP1ALOX5AP
SCHEMBL4690394 1.00 CCKBR (0.51) CCKBRKDM4EALDH1A1TDP1ALOX5AP
SCHEMBL4690393 0.86 CCKBR (0.50) CCKBRKDM4EALDH1A1ALOX5APFEN1
SCHEMBL4693858 0.86 CCKBR (0.50) CCKBRKDM4EALDH1A1ALOX5APFEN1
SCHEMBL4494740 0.86 CCKBR (0.50) CCKBRKDM4EALDH1A1ALOX5APFEN1
SCHEMBL4505084 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4693808 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4692965 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4693148 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2
SCHEMBL4510279 0.85 ALOX5AP (0.46) CCKBRALOX5APFEN1HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 CCKBR 2/4885KDM4E 3167/4885ALDH1A1 4604/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR CCKBR 2/4885KDM4E 3167/4885ALDH1A1 4604/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR CCKBR 2/4885KDM4E 3681/4885ALDH1A1 4427/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR CCKBR 2/4885KDM4E 3681/4885ALDH1A1 4427/4885

“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.