SCHEMBL1884672

SCHEMBL1884672

C[C@@H](NC(=O)c1ccc(F)cc1NS(=O)(=O)c1cccc2nccnc12)c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.57
CCKAR P32238 5/20 0.53
LMNA P02545 1/20 0.45
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
PKLR P30613 2/20 0.41

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
SCHEMBL1884675 1.00 CCKBR (0.57) CCKBRCCKARLMNAESR1POLB
SCHEMBL1889841 0.94 CCKBR (0.53) CCKBRCCKARLMNAESR1
SCHEMBL1886233 0.94 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1886229 0.94 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1885772 0.94 CCKBR (0.61) CCKBRCCKAR
SCHEMBL31616335 0.94 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1889837 0.94 CCKBR (0.53) CCKBRCCKARLMNAESR1
SCHEMBL31618389 0.94 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1885769 0.94 CCKBR (0.61) CCKBRCCKAR
SCHEMBL1382499 0.94 CCKBR (0.50) CCKBRCCKARLMNAESR1POLB

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 13 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-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
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 CCKBR 2/4885CCKAR 1/4885LMNA 2703/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR CCKBR 2/4885CCKAR 1/4885LMNA 2703/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR CCKBR 2/4885CCKAR 1/4885LMNA 4073/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR CCKBR 2/4885CCKAR 1/4885LMNA 4073/4885

“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.