SCHEMBL5352149

SCHEMBL5352149

COc1nnc2c(NC(C)C)nc3cc(CN4CCOCC4)ccc3n12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.43
SYK P43405 1/20 0.42
PDE6D O43924 1/20 0.42
PDE6A P16499 1/20 0.42
PDE6G P18545 1/20 0.42
PDE6B P35913 1/20 0.42
PDE6C P51160 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE6H Q13956 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42
BRD4 O60885 4/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5362996 0.90 PDE2A (0.41) PDE2APDE10ABRD4SMN1; SMN2LMNA
SCHEMBL5359474 0.79 SYK (0.46) PDE2ASYKPDE6DPDE6APDE6G
SCHEMBL5358047 0.73 BRD4 (0.48) BRD4SMN1; SMN2LMNAHIF1A
SCHEMBL5359423 0.72 SYK (0.46) PDE2ASYKPDE6DPDE6APDE6G
SCHEMBL5350666 0.69 CHEK1 (0.43) PDE2ASYKPDE10A
SCHEMBL16884088 0.62 HTT (0.76) HTTSMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL692180 0.61 IDO1 (0.50) PDE2APDE1BHTTSMN1; SMN2
SCHEMBL25727253 0.60 MAPT (0.47) PDE2APDE6DPDE6APDE6GPDE6B
SCHEMBL5755331 0.60 SMN1; SMN2 (1.00) HTTSMN1; SMN2HIF1A
SCHEMBL13232580 0.60 SMN1; SMN2 (0.70) HTTSMN1; SMN2LMNAHIF1A

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 342/4885SYK 2389/4885PDE6D 294/4885

“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.