SCHEMBL7899529

SCHEMBL7899529

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.45
PDE5A O76074 1/20 0.41
TP53 P04637 5/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
GRIN2C Q14957 1/20 0.35
MTNR1B P49286 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
SCHEMBL7899527 0.97 PDE9A (0.47) PDE9APDE5ATP53LMNAKDM4E
SCHEMBL7905933 0.88 PDE9A (0.49) PDE9APDE5ALMNAKDM4EALDH1A1
SCHEMBL7905016 0.85 PDE9A (0.46) PDE9ALMNAKDM4EALDH1A1HPGD
SCHEMBL7911554 0.83 MAPK1 (0.50) PDE9ALMNAKDM4EALDH1A1HPGD
SCHEMBL7908580 0.82 PDE9A (0.51) PDE9APDE5ALMNAKDM4EHSD17B10
SCHEMBL7907352 0.80 PDE9A (0.41) PDE9APDE5ALMNAKDM4EALDH1A1
SCHEMBL7908554 0.79 PDE9A (0.43) PDE9APDE5AKMT2A
SCHEMBL12044086 0.78 PDE9A (0.39) PDE9APDE5ALMNAKDM4EALDH1A1
SCHEMBL7905991 0.77 PDE9A (0.49) PDE9APDE5A
SCHEMBL7908222 0.77 PDE9A (0.39) 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 8 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
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP 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 4/4885TP53 4230/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885TP53 4149/4885

“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.