SCHEMBL5353002

SCHEMBL5353002

COc1nnc2c(Cl)nc3ccc(Br)cc3n12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.50
PDE10A Q9Y233 7/20 0.50
NPM1 P06748 2/20 0.44
ALK Q9UM73 2/20 0.44
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYMS P04818 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CUL4A Q13619 1/20 0.36
GLP1R P43220 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
SCHEMBL5359497 0.86 PDE2A (0.53) PDE2APDE10ACUL4A
SCHEMBL5351286 0.84 PDE2A (0.51) PDE2APDE10A
SCHEMBL5357643 0.80 TYMS (0.58) PDE2APDE10AALDH1A1MAPTMEN1
SCHEMBL5354821 0.79 LMNA (0.48) PDE2APDE10ASMN1; SMN2HTT
SCHEMBL21642513 0.71 BRD4 (0.52) PDE2APDE10AALDH1A1MAPT
SCHEMBL5350634 0.71 KDM4E (0.47) PDE2APDE10AALDH1A1MAPTRAB9A
SCHEMBL15112680 0.70 MAPT (0.55) PDE2APDE10ANPM1ALKALDH1A1
SCHEMBL29729492 0.70 MAPT (0.55) PDE2APDE10ANPM1ALKALDH1A1
SCHEMBL30973175 0.69 KMT2A (0.45) NPM1ALKMAPTRAB9AMEN1
SCHEMBL31040724 0.69 CUL4A (0.73) PDE2APDE10ANPM1ALKALDH1A1

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 PDE2A 342/4885PDE10A 769/4885NPM1 2151/4885

“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.