SCHEMBL5775034

SCHEMBL5775034

COc1nc2ccc(C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.50
DGAT1 O75907 5/20 0.47
KCNH2 Q12809 5/20 0.47
SOAT1 P35610 2/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
ATP4A P20648 1/20 0.46
ATP4B P51164 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CBFB Q13951 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5769256 0.89 PARP1 (0.41) NPBWR1MAPTJUNNFKB1NFKB2
SCHEMBL5770150 0.78 EGFR (0.55) MAPTHSD17B10
SCHEMBL28778229 0.75 NPBWR1 (0.50) NPBWR1DGAT1KCNH2SOAT1SCN10A
SCHEMBL5772209 0.74 ALDH1A1 (0.41) HRH4CBFBMAPTHSD17B10
SCHEMBL5774049 0.73 PLAUR (0.56) HRH4GAAMAPTHSD17B10
SCHEMBL12020707 0.73 MAPT (0.76) NPBWR1DGAT1KCNH2SOAT1SCN10A
SCHEMBL17161369 0.73 HRH4 (0.59) NPBWR1DGAT1KCNH2SCN10AHRH4
SCHEMBL6604068 0.73 KDM4E (0.53) NPBWR1DGAT1KCNH2SCN10AHRH4
SCHEMBL5770451 0.72 CDK4 (0.36) NPBWR1NFKB1NFKB2RELA
SCHEMBL8872678 0.72 JUN (0.48) NPBWR1DGAT1KCNH2SOAT1DYRK1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670774-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-21 EP disclosed
WO-2005033088-A1 QUINOXALINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-14 WO disclosed
US-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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 (1 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-20050070527-A1 For leukocyte recruitment inhibition, treating or preventing inflammation and H4 receptor-mediated conditions HRH4, HRH3, LTB4R NPBWR1 453/4885DGAT1 2762/4885KCNH2 3171/4885

“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.