SCHEMBL4518262

SCHEMBL4518262

Nc1cc(Br)cc2c1C(=O)N(Cc1ccc(F)cc1F)C2=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.45
AKR1B10 O60218 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM5 P08912 1/20 0.41
ACHE P22303 4/20 0.40
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 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
SCHEMBL4518252 0.84 AKR1B1 (0.48) AKR1B1AKR1B10AKR1A1CHRM5ACHE
SCHEMBL4746784 0.77 CA12 (0.46) CHRM5KDM4ESMN1; SMN2
SCHEMBL4746032 0.77 P2RX7 (0.39) AKR1B1AKR1B10AKR1A1KDM4ESMN1; SMN2
SCHEMBL4748978 0.77 P2RX7 (0.39) AKR1B1AKR1B10AKR1A1HSP90B1TRAP1
SCHEMBL18669187 0.76 ACHE (0.61) AKR1B1CHRM5ACHEKDM4ESMN1; SMN2
SCHEMBL26625800 0.76 ACHE (0.61) AKR1B1CHRM5ACHEKDM4ESMN1; SMN2
SCHEMBL4746002 0.75 AKR1B1 (0.40) AKR1B1AKR1B10AKR1A1ACHE
SCHEMBL4225014 0.73 AKR1B1 (0.43) AKR1B1AKR1B10AKR1A1ACHEKDM4E
SCHEMBL29303327 0.71 CHRM5 (0.60) AKR1B1AKR1B10AKR1A1CHRM5HSP90B1
SCHEMBL30975535 0.71 CHRM5 (0.60) AKR1B1AKR1B10AKR1A1CHRM5HSP90B1

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
WO-2008124518-A1 OXO-DIHYDROISOINDOLE SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO 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
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
WO-2008124518-A1 OXO-DIHYDROISOINDOLE SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO 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
US-20050043310-A1 Preparation of quinoxaline compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US 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 AKR1B1 3893/4885AKR1B10 3820/4885AKR1A1 4315/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR AKR1B1 3893/4885AKR1B10 3820/4885AKR1A1 4315/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR AKR1B1 4201/4885AKR1B10 4241/4885AKR1A1 4500/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR AKR1B1 4201/4885AKR1B10 4241/4885AKR1A1 4500/4885

“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.