SCHEMBL5356548

SCHEMBL5356548

O=C(O)c1ccnc(NCCNc2nc3ccc(F)cc3n3c(=O)[nH]nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
KDM4D Q6B0I6 2/20 0.45
BRD4 O60885 6/20 0.43
IKBKB O14920 1/20 0.36
CDK11B P21127 1/20 0.36
CDK7 P50613 1/20 0.36
CDK13 Q14004 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
MYLK4 Q86YV6 1/20 0.36
CDK11A Q9UQ88 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PIK3CA P42336 1/20 0.35

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 0.84 ADORA1 (0.46) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5361972 0.84 ADORA1 (0.53) ADORA1BRD4IKBKB
SCHEMBL5359569 0.84 ADORA1 (0.53) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5357433 0.82 ADORA1 (0.53) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5357503 0.79 ADORA1 (0.54) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5355548 0.79 ADORA1 (0.46) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5357594 0.79 BRD4 (0.48) ADORA1BRD4
SCHEMBL5355915 0.78 ADORA1 (0.45) ADORA1BRD4IKBKBCDK11BCDK7
SCHEMBL5362434 0.78 ADORA1 (0.77) ADORA1BRD4
SCHEMBL5367611 0.78 ADORA1 (0.44) 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 2 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
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 12/4885KDM5A 1263/4885KDM4C 1370/4885

“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.