SCHEMBL5361972

SCHEMBL5361972

O=c1[nH]nc2c(NCCNc3ccccn3)nc3ccc(F)cc3n12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.53
BRD4 O60885 6/20 0.42
JAK2 O60674 1/20 0.38
IKBKB O14920 3/20 0.37
CHUK O15111 3/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL5357433 0.90 ADORA1 (0.53) ADORA1BRD4IKBKBCHUKPDE2A
SCHEMBL5356547 0.86 ADORA1 (0.54) ADORA1BRD4IKBKBCHUKPDE10A
SCHEMBL5357594 0.86 BRD4 (0.48) ADORA1BRD4
SCHEMBL5349980 0.85 ADORA1 (0.48) ADORA1BRD4PDE2APDE10A
SCHEMBL5350657 0.85 ADORA1 (0.46) ADORA1BRD4IKBKBPDE2A
SCHEMBL5356548 0.84 ADORA1 (0.47) ADORA1BRD4IKBKB
SCHEMBL5362434 0.84 ADORA1 (0.77) ADORA1BRD4
SCHEMBL5367611 0.83 ADORA1 (0.44) ADORA1BRD4
SCHEMBL5357503 0.83 ADORA1 (0.54) ADORA1BRD4IKBKBCHUKCDK9
SCHEMBL5362701 0.82 ADORA1 (0.75) ADORA1BRD4

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 4 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

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 12/4885BRD4 784/4885JAK2 2200/4885

“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.