SCHEMBL5368059

SCHEMBL5368059

O=c1[nH]nc2c(NCCNc3nc4ccccc4s3)nc3ccc(Br)cc3n12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC1 Q13547 1/20 0.38
ILK Q13418 6/20 0.37
GLS O94925 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
QPCT Q16769 1/20 0.36
ALOX12 P18054 1/20 0.36
PPARG P37231 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
SCHEMBL5355187 0.89 ADORA1 (0.52) ADORA1NPC1RAB9AILKGLS
SCHEMBL5356501 0.89 ADORA1 (0.52) ADORA1NPC1RAB9AILKGLS
SCHEMBL5359692 0.81 ADORA1 (0.55) ADORA1NPC1RAB9AHDAC1ALDH1A1
SCHEMBL5354834 0.75 ADORA1 (0.53) ADORA1
SCHEMBL3523483 0.72 NPC1 (0.41) ADORA1NPC1RAB9AILKGLS
SCHEMBL5355902 0.71 ADORA1 (0.45) ADORA1LMNA
SCHEMBL3528541 0.70 MAPT (0.48) ADORA1NPC1RAB9AILKGLS
SCHEMBL5356547 0.70 ADORA1 (0.54) ADORA1NPC1RAB9AALDH1A1
SCHEMBL5361972 0.69 ADORA1 (0.53) ADORA1
SCHEMBL5355423 0.69 ADORA1 (0.53) ADORA1NPC1RAB9A

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 ADORA1 12/4885NPC1 2018/4885RAB9A 158/4885

“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.