SCHEMBL7908024

SCHEMBL7908024

Cc1cc2c(cc1C(=O)N1CCCc3ccccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
PDE5A O76074 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 2/20 0.42
PLAT P00750 1/20 0.41
CYP2C19 P33261 1/20 0.41
SPR P35270 1/20 0.39
CRBN Q96SW2 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
SCHEMBL10186206 0.95 PDE9A (0.44) PDE9AALDH1A1KDM4EL3MBTL1PDE5A
SCHEMBL7900285 0.92 PDE9A (0.44) PDE9AALDH1A1KDM4EPDE5ATSHR
SCHEMBL1721515 0.90 PDE9A (0.52) PDE9AALDH1A1KDM4EL3MBTL1PDE5A
SCHEMBL7900287 0.89 PDE9A (0.46) PDE9AALDH1A1PDE5A
SCHEMBL7908759 0.88 PDE9A (0.46) PDE9AALDH1A1PDE5ACYP2C19SPR
SCHEMBL14828362 0.87 PDE9A (0.44) PDE9AL3MBTL1PDE5A
SCHEMBL7905610 0.87 PDE9A (0.44) PDE9AALDH1A1PDE5A
SCHEMBL7909607 0.87 PDE9A (0.44) PDE9APDE5A
SCHEMBL7905991 0.86 PDE9A (0.49) PDE9APDE5A
SCHEMBL12044656 0.85 PDE9A (0.46) 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 1/4885ALDH1A1 387/4885KDM4E 1337/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885ALDH1A1 1344/4885KDM4E 641/4885

“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.