SCHEMBL7912426

SCHEMBL7912426

COc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1cnc(C3CCCCC3)n12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.70
PDE5A O76074 1/20 0.53
PDE4B Q07343 5/20 0.38
PDE10A Q9Y233 1/20 0.37
HSP90B1 P14625 1/20 0.35
TRAP1 Q12931 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTR2B P41595 1/20 0.35
SPR P35270 1/20 0.35
TACR3 P29371 1/20 0.35
OXTR P30559 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL12044771 0.92 PDE9A (0.58) PDE9APDE5A
SCHEMBL3597945 0.89 PDE9A (0.75) PDE9APDE5AKMT2APDE2A
SCHEMBL3599979 0.89 PDE9A (0.75) PDE9APDE5AKMT2APDE2A
SCHEMBL7905804 0.88 PDE9A (0.56) PDE9APDE5AHSP90B1TRAP1KMT2A
SCHEMBL1722666 0.87 PDE9A (0.61) PDE9APDE5A
SCHEMBL12044649 0.87 PDE9A (0.61) PDE9APDE5A
SCHEMBL3605995 0.85 PDE9A (0.81) PDE9APDE5AKMT2A
SCHEMBL3595178 0.85 PDE9A (0.81) PDE9APDE5AKMT2A
SCHEMBL3595666 0.84 PDE9A (0.79) PDE9APDE5ASPR
SCHEMBL12044779 0.83 PDE9A (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085134-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-04 US 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-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
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 4/4885PDE4B 9/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885PDE4B 9/4885

“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.