SCHEMBL5360950

SCHEMBL5360950

O=c1[nH]nc2c(NCCCNc3ccc(C(F)(F)F)cn3)nc3ccc(F)cc3n12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
BRD4 O60885 6/20 0.42
TLR7 Q9NYK1 1/20 0.35
IKBKB O14920 1/20 0.35
CDK11B P21127 1/20 0.35
CDK7 P50613 1/20 0.35
CDK13 Q14004 1/20 0.35
MAP3K19 Q56UN5 1/20 0.35
MYLK4 Q86YV6 1/20 0.35
CDK11A Q9UQ88 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KCNH2 Q12809 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
SCHEMBL5355915 0.96 ADORA1 (0.45) ADORA1BRD4TLR7IKBKBCDK11B
SCHEMBL5352631 0.85 ADORA1 (0.39) ADORA1BRD4
SCHEMBL5350657 0.85 ADORA1 (0.46) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5367611 0.81 ADORA1 (0.44) ADORA1BRD4
SCHEMBL5361972 0.81 ADORA1 (0.53) ADORA1BRD4IKBKB
SCHEMBL5354883 0.79 ADORA1 (0.42) ADORA1BRD4PRKAA1
SCHEMBL5357503 0.78 ADORA1 (0.54) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5355548 0.78 ADORA1 (0.46) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5349980 0.78 ADORA1 (0.48) ADORA1BRD4
SCHEMBL5356547 0.77 ADORA1 (0.54) ADORA1BRD4IKBKB

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 784/4885TLR7 1222/4885

“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.