SCHEMBL5358536

SCHEMBL5358536

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 9/20 0.44
CHEK1 O14757 1/20 0.41
ADORA1 P30542 2/20 0.41
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
BRD4 O60885 2/20 0.40
HTR2A P28223 1/20 0.38
PASK Q96RG2 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
AURKA O14965 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL5351179 0.89 ADORA1 (0.45) ADORA1BRD4
SCHEMBL5355195 0.87 BRD4 (0.43) ADORA1BRD4
SCHEMBL5350987 0.85 LMNA (0.51) BRD4
SCHEMBL5355200 0.83 ADORA1 (0.38) CRBNADORA1BRD4
SCHEMBL5350993 0.81 TNKS (0.42) ADORA1BRD4
SCHEMBL5356781 0.81 ADORA1 (0.45) ADORA1
SCHEMBL5359370 0.81 ACSS2 (0.45) ADORA1BRD4
SCHEMBL5359257 0.79 ADORA1 (0.41) CRBNADORA1BRD4
SCHEMBL5350960 0.78 ACSS2 (0.44) ADORA1BRD4
SCHEMBL5354958 0.78 ADORA1 (0.64) ADORA1

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 CRBN 2904/4885CHEK1 1345/4885ADORA1 12/4885

“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.