SCHEMBL5358047

SCHEMBL5358047

COc1nnc2c(NC(C)C)nc3cc(C(=O)O)ccc3n12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.48
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HCAR3 P49019 2/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL5355157 0.91 BRD4 (0.52) BRD4LMNASMN1; SMN2HIF1A
SCHEMBL5362224 0.87 BRD4 (0.49) BRD4LMNASMN1; SMN2HIF1A
SCHEMBL5362228 0.87 BRD4 (0.42) BRD4LMNASMN1; SMN2HIF1A
SCHEMBL5355211 0.85 MEN1 (0.50) BRD4LMNASMN1; SMN2HIF1AHPGD
SCHEMBL5370560 0.81 LMNA (0.46) BRD4LMNASMN1; SMN2HIF1A
SCHEMBL5351179 0.77 ADORA1 (0.45) BRD4LMNASMN1; SMN2HIF1AHCAR3
SCHEMBL5362996 0.74 PDE2A (0.41) BRD4LMNASMN1; SMN2HIF1A
SCHEMBL5352149 0.73 PDE2A (0.43) BRD4LMNASMN1; SMN2HIF1A
SCHEMBL5350634 0.73 KDM4E (0.47) BRD4LMNA
SCHEMBL20878432 0.72 MAP3K5 (0.52) SMN1; SMN2HCAR3HPGD

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 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 BRD4 784/4885LMNA 3553/4885SMN1; SMN2 4136/4885

“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.