SCHEMBL5771632

SCHEMBL5771632

COc1cc2ccc(F)c(F)c2[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
CNR2 P34972 9/20 0.37
DAO P14920 1/20 0.37
DDO Q99489 1/20 0.37
MCL1 Q07820 1/20 0.37
PGR P06401 1/20 0.36
TNKS O95271 1/20 0.35
CYP19A1 P11511 1/20 0.34
NQO2 P16083 1/20 0.34
NEK1 Q96PY6 1/20 0.34

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
SCHEMBL22199030 0.76 NQO2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31378844 0.75 DAO (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22185224 0.74 ALDH1A1 (0.44) CNR2DAO
SCHEMBL22184879 0.73 EIF4A3 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3423406 0.72 DAO (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1534147 0.71 DAO (0.47) DAODDOMCL1TNKSNQO2
SCHEMBL15690709 0.71 CA12 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15690338 0.71 TNKS (0.50) CNR2DAODDOTNKS
SCHEMBL31378717 0.70 CASP6 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28427455 0.68 CA12 (0.44) 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 GRIN2D 1163/4885GRIN3B 525/4885GRIN1 530/4885

“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.