SCHEMBL7908580

SCHEMBL7908580

COc1cc2c(cc1OC)CN(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1C)CC2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.51
PDE5A O76074 1/20 0.44
HSD17B10 Q99714 2/20 0.41
PDE4B Q07343 9/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
PDE4D Q08499 4/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7908777 0.90 PDE9A (0.45) PDE9APDE5AKMT2A
SCHEMBL14828367 0.89 PDE9A (0.44) PDE9APDE5A
SCHEMBL14828364 0.89 PDE9A (0.44) PDE9APDE5A
SCHEMBL7896928 0.88 PDE9A (0.45) PDE9APDE5AKDM4EKMT2A
SCHEMBL7912424 0.88 PDE9A (0.43) PDE9APDE5A
SCHEMBL12044995 0.88 PDE9A (0.45) PDE9APDE5A
SCHEMBL12045035 0.87 PDE9A (0.47) PDE9APDE5A
SCHEMBL12045005 0.87 PDE9A (0.43) PDE9APDE5A
SCHEMBL7908379 0.87 PDE9A (0.43) PDE9APDE5A
SCHEMBL7912411 0.87 PDE9A (0.45) PDE9APDE5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO 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 (2 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-20130085134-A1 QUINOXALINE COMPOUND PDE9A, PDE2A, PDE3A PDE9A 1/4885PDE5A 4/4885HSD17B10 1309/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885HSD17B10 2831/4885

“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.