SCHEMBL5772209

SCHEMBL5772209

COc1nc2cc(F)c(F)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
CBFB Q13951 1/20 0.38
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
AMY1A P0DUB6 2/20 0.37

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
SCHEMBL11355377 0.81 KDM4E (0.39) ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL5774932 0.80 GRIN2D (0.54) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL6304503 0.77 KDM4E (0.44) ALDH1A1CYP1A2CYP2C19KDM4ECYP3A4
SCHEMBL5770141 0.76 GRIN2D (0.53) ALDH1A1CYP1A2CYP2C19KDM4EHPGD
SCHEMBL5771862 0.76 GRIN2D (0.53) CYP1A2CYP2C19GRIN2DGRIN3BGRIN1
SCHEMBL5770150 0.74 EGFR (0.55) ALDH1A1KDM4ECYP3A4HPGDHSD17B10
SCHEMBL5769991 0.74 HRH4 (0.52) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL5769256 0.74 PARP1 (0.41) ALDH1A1CYP1A2CYP2C19KDM4ECYP2C9
SCHEMBL5775034 0.74 NPBWR1 (0.50) HSD17B10CBFBHRH4MAPT
SCHEMBL15647865 0.73 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 ALDH1A1 3818/4885CYP1A2 4512/4885CYP2C19 4687/4885

“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.