SCHEMBL4518252

SCHEMBL4518252

NC(=O)c1cc(Br)cc2c1C(=O)N(Cc1ccc(F)cc1F)C2=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.48
AKR1B10 O60218 1/20 0.40
AKR1A1 P14550 1/20 0.40
MAPK14 Q16539 3/20 0.40
MAPK8 P45983 1/20 0.38
CHRM5 P08912 1/20 0.38
PTGER1 P34995 1/20 0.38
ACHE P22303 4/20 0.37
GRM5 P41594 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL4518262 0.84 AKR1B1 (0.45) AKR1B1AKR1B10AKR1A1CHRM5ACHE
SCHEMBL4746002 0.74 AKR1B1 (0.40) AKR1B1AKR1B10AKR1A1PTGER1ACHE
SCHEMBL18669187 0.72 ACHE (0.61) AKR1B1CHRM5ACHEGRM5
SCHEMBL26625800 0.72 ACHE (0.61) AKR1B1CHRM5ACHEGRM5
SCHEMBL4225014 0.71 AKR1B1 (0.43) AKR1B1AKR1B10AKR1A1ACHEGRM5
SCHEMBL13952233 0.69 AKR1B1 (0.42) AKR1B1AKR1B10AKR1A1ACHEGRM5
SCHEMBL29303327 0.67 CHRM5 (0.60) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL30975535 0.67 CHRM5 (0.60) AKR1B1AKR1B10AKR1A1CHRM5
SCHEMBL9684842 0.66 AKR1B1 (0.59) AKR1B1AKR1B10AKR1A1CHRM5GRM5
SCHEMBL9685013 0.65 AKR1B1 (1.00) AKR1B1AKR1B10AKR1A1CHRM5GRM5

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 12 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
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
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.