SCHEMBL5354883

SCHEMBL5354883

O=c1[nH]nc2c(NCCNc3ccnc4cc(C(F)(F)F)ccc34)nc3ccc(F)cc3n12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.42
FERMT2 Q96AC1 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
KDR P35968 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
AURKB Q96GD4 2/20 0.38
PRKD2 Q9BZL6 2/20 0.38
MARK3 P27448 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PAK1 Q13153 1/20 0.38
STK3 Q13188 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
HIPK4 Q8NE63 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
SCHEMBL5350657 0.86 ADORA1 (0.46) ADORA1BRD4
SCHEMBL5360531 0.84 ADORA1 (0.43) ADORA1CLK4PRKD3MAP4K4GSK3A
SCHEMBL5355915 0.82 ADORA1 (0.45) ADORA1PRKAA1BRD4
SCHEMBL5355548 0.81 ADORA1 (0.46) ADORA1BRD4
SCHEMBL5368594 0.80 ADORA1 (0.52) ADORA1CDK2BRD4
SCHEMBL5349980 0.79 ADORA1 (0.48) ADORA1BRD4
SCHEMBL5360950 0.79 ADORA1 (0.43) ADORA1PRKAA1BRD4
SCHEMBL5357433 0.78 ADORA1 (0.53) ADORA1PRKD3AURKBPRKD2TAOK1
SCHEMBL5361972 0.77 ADORA1 (0.53) ADORA1BRD4
SCHEMBL5358141 0.77 ADORA1 (0.39) 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 12/4885FERMT2 4223/4885CCNC 1244/4885

“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.