SCHEMBL5350993

SCHEMBL5350993

COCCN(C)C(=O)c1ccc2c(c1)nc(NC(C)C)c1n[nH]c(=O)n12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.42
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ITK Q08881 1/20 0.40
USP1 O94782 2/20 0.38
ADORA1 P30542 2/20 0.37
BRD4 O60885 4/20 0.37
LRRK2 Q5S007 2/20 0.35
NAMPT P43490 3/20 0.35
HDAC4 P56524 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 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
SCHEMBL5355200 0.86 ADORA1 (0.38) ADORA1BRD4LMNATP53
SCHEMBL5355195 0.84 BRD4 (0.43) ADORA1BRD4LMNATP53
SCHEMBL5350987 0.84 LMNA (0.51) BRD4LMNATP53
SCHEMBL5358536 0.81 CRBN (0.44) ADORA1BRD4
SCHEMBL5351179 0.81 ADORA1 (0.45) ADORA1BRD4LMNA
SCHEMBL5368068 0.78 ADORA1 (0.40) ADORA1LMNA
SCHEMBL5350960 0.78 ACSS2 (0.44) TNKSADORA1BRD4LMNATP53
SCHEMBL5359257 0.75 ADORA1 (0.41) ADORA1BRD4
SCHEMBL5355114 0.74 ALDH1A1 (0.42) ADORA1BRD4NAMPT
SCHEMBL5359370 0.73 ACSS2 (0.45) 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 8 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
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed
EP-1613629-A1 SUBSTITUTED 4-AMINO 1,2,4 TRIAZOLO 4,3-A QUINOXALINES Pfizer Products Inc. (US) 2006-01-11 EP disclosed
WO-2004085439-A1 SUBSTITUTED 4-AMINO[1,2,4]TRIAZOLO[4,3-A]QUINOXALINES PFIZER PRODUCTS INC. (US) 2004-10-07 WO disclosed
US-20040192698-A1 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. 2004-09-30 US disclosed

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 TNKS 436/4885TLR8 2478/4885TLR7 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.