SCHEMBL5350657

SCHEMBL5350657

O=c1[nH]nc2c(NCCNc3cc(C(F)(F)F)ccn3)nc3ccc(F)cc3n12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
BRD4 O60885 6/20 0.40
PDE2A O00408 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
RIPK3 Q9Y572 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 0.88 ADORA1 (0.45) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5354883 0.86 ADORA1 (0.42) ADORA1BRD4
SCHEMBL5358141 0.86 ADORA1 (0.39) ADORA1BRD4PDE2A
SCHEMBL5355548 0.85 ADORA1 (0.46) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5360950 0.85 ADORA1 (0.43) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5361972 0.85 ADORA1 (0.53) ADORA1BRD4PDE2AIKBKB
SCHEMBL5356548 0.84 ADORA1 (0.47) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5349980 0.83 ADORA1 (0.48) ADORA1BRD4PDE2A
SCHEMBL5357433 0.82 ADORA1 (0.53) ADORA1BRD4PDE2AIKBKBCDK11B
SCHEMBL5370881 0.81 BRD4 (0.42) 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 784/4885PDE2A 342/4885

“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.