SCHEMBL5357124

SCHEMBL5357124

O=c1[nH]nc2c(NC3CCNCC3)nc3ccc(F)cc3n12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 1/20 0.41
JAK2 O60674 3/20 0.41
HTR6 P50406 4/20 0.41
NR4A2 P43354 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
MAPK8 P45983 1/20 0.38

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
SCHEMBL5359648 0.90 ADORA1 (0.51) ADORA1ADORA3ADORA2AJAK2MAPK8
SCHEMBL5363112 0.88 MAPK9 (0.47) ADORA1ADORA3ADORA2AJAK2MAPK8
SCHEMBL5356081 0.78 OPRM1 (0.42) ADORA1ADORA3ADORA2AOPRM1
SCHEMBL5349697 0.76 HRH4 (0.38) ADORA1HTR6KCNH2OPRM1OPRK1
SCHEMBL5357419 0.76 ADORA1 (0.44) ADORA1ADORA3
SCHEMBL5357503 0.75 ADORA1 (0.54) ADORA1
SCHEMBL5362701 0.74 ADORA1 (0.75) ADORA1ADORA3MAPK8
SCHEMBL5363335 0.72 ADORA1 (0.51) ADORA1
SCHEMBL5357433 0.72 ADORA1 (0.53) ADORA1
SCHEMBL5359569 0.72 ADORA1 (0.53) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US claimed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP claimed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO claimed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 US claimed
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 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-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines CYP4B1, CYP3A4, CYP1B1 ADORA1 12/4885ADORA3 26/4885ADORA2A 34/4885

“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.