SCHEMBL5350987

SCHEMBL5350987

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
BRD4 O60885 9/20 0.49
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 1/20 0.42

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
SCHEMBL5355195 0.90 BRD4 (0.43) LMNATP53BRD4HPGD
SCHEMBL5350960 0.87 ACSS2 (0.44) LMNATP53BRD4GAAALDH1A1
SCHEMBL5358536 0.85 CRBN (0.44) BRD4
SCHEMBL5350993 0.84 TNKS (0.42) LMNATP53BRD4
SCHEMBL5355114 0.83 ALDH1A1 (0.42) BRD4GAAALDH1A1POLB
SCHEMBL5351179 0.82 ADORA1 (0.45) LMNABRD4ALDH1A1HPGDPOLB
SCHEMBL5355200 0.80 ADORA1 (0.38) LMNATP53BRD4
SCHEMBL5359370 0.78 ACSS2 (0.45) BRD4GAAHPGD
SCHEMBL5359257 0.77 ADORA1 (0.41) BRD4ALDH1A1HPGDPOLB
SCHEMBL5368068 0.72 ADORA1 (0.40) LMNA

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 LMNA 3553/4885TP53 2152/4885BRD4 784/4885

“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.