SCHEMBL1892290

SCHEMBL1892290

O=C1NCCOc2cc(F)cc(F)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.54
NTRK1 P04629 12/20 0.36
ALK Q9UM73 5/20 0.36
ROS1 P08922 3/20 0.36
JAK2 O60674 6/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.33
AR P10275 1/20 0.33
MAPT P10636 1/20 0.33
JAK3 P52333 4/20 0.33
JAK1 P23458 3/20 0.33
PLK4 O00444 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL15525854 0.85 FABP6 (0.49) FABP6NTRK1ALKROS1JAK2
SCHEMBL16535556 0.84 FABP6 (0.48) FABP6NTRK1ALKROS1JAK2
SCHEMBL15525868 0.80 FABP6 (0.44) FABP6NTRK1ALKROS1
SCHEMBL31354775 0.80 FABP6 (0.50) FABP6NTRK1ALKROS1JAK2
SCHEMBL29964533 0.77 FABP6 (0.50) FABP6NTRK1ALKROS1JAK2
SCHEMBL1350215 0.74 MAOB (0.39) FABP6ALDH1A1MAPTHPGDPARP1
SCHEMBL29473475 0.74 MAOB (0.39) FABP6ALDH1A1MAPTHPGDPARP1
SCHEMBL1887176 0.73 FABP6 (0.77) FABP6NTRK1ALKROS1JAK2
SCHEMBL31597971 0.71 FABP6 (0.59) FABP6NTRK1ALKROS1JAK2
SCHEMBL609771 0.70 PARP10 (0.50) JAK2KDM4EPARP1PARP10

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 10 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
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 FABP6 22/4885NTRK1 1600/4885ALK 4853/4885
US-20050043310-A1 Preparation of quinoxaline compounds CCKAR, CCKBR, GIPR FABP6 22/4885NTRK1 1600/4885ALK 4853/4885
US-20050038032-A1 Quinoxaline compounds CCKAR, CCKBR, GIPR FABP6 9/4885NTRK1 3453/4885ALK 4814/4885
US-20080076918-A1 QUINOXALINE COMPOUNDS CCKAR, CCKBR, GIPR FABP6 9/4885NTRK1 3453/4885ALK 4814/4885

“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.