SCHEMBL1884905

SCHEMBL1884905

C[C@@H](NC(=O)c1ccc(Br)cc1N)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ SLC22A2 O15244 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ PPARG P37231 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ GAA P10253 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
SCHEMBL1884907 1.00 L3MBTL1 (0.44) L3MBTL1POLBCES2CES1SLC22A2
SCHEMBL1887553 0.81 MEN1 (0.44) L3MBTL1POLBCES2CES1SLC22A2
SCHEMBL1887550 0.81 MEN1 (0.44) L3MBTL1POLBCES2CES1SLC22A2
SCHEMBL5648866 0.79 LMNA (0.60) L3MBTL1POLBALDH1A1PPARGLMNA
SCHEMBL21619238 0.77 ALDH1A1 (0.52) L3MBTL1POLBKDM4EALDH1A1RXFP1
SCHEMBL4749826 0.77 CCKBR (0.52) L3MBTL1POLBRXFP1
SCHEMBL5646731 0.73 SMN1; SMN2 (0.51) POLBKDM4EALDH1A1PPARGLMNA
SCHEMBL15053941 0.73 ACACB (0.47) L3MBTL1KDM4EDGAT1
SCHEMBL15092388 0.73 FPR2 (0.44) L3MBTL1POLBKDM4EALDH1A1DGAT1
SCHEMBL27008783 0.73 FPR2 (0.44) L3MBTL1POLBKDM4EALDH1A1DGAT1

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
CN-1863781-A 2- (quinoxalin-5-ylsulfonamido) -benzamide compounds as cholecystokinin 2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 — — CN disclosed
CN-1863782-A 2-(quinoxalin-5-ylsulfonylamino)-benzamide compounds as cck2 modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-15 — — CN 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
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 L3MBTL1 4670/4885POLB 3802/4885CES2 1264/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR L3MBTL1 4670/4885POLB 3802/4885CES2 1264/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR L3MBTL1 2213/4885POLB 4318/4885CES2 1335/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR L3MBTL1 2213/4885POLB 4318/4885CES2 1335/4885

“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.

Send feedback