SCHEMBL7909607

SCHEMBL7909607

Cc1cc2c(cc1C(=O)N1CCOc3ccccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 10/20 0.44
PDE5A O76074 1/20 0.41
NR3C2 P08235 1/20 0.38
POLB P06746 1/20 0.38
SLC22A12 Q96S37 3/20 0.37
AKT1 P31749 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL7908697 0.89 PDE9A (0.43) PDE9APDE5A
SCHEMBL10186206 0.88 PDE9A (0.44) PDE9APDE5APOLB
SCHEMBL7908024 0.87 PDE9A (0.45) PDE9APDE5A
SCHEMBL7898188 0.84 PDE9A (0.47) PDE9APDE5AAKT1NOTUM
SCHEMBL14828362 0.83 PDE9A (0.44) PDE9APDE5A
SCHEMBL7905610 0.83 PDE9A (0.44) PDE9APDE5APOLBNOTUM
SCHEMBL7905991 0.82 PDE9A (0.49) PDE9APDE5A
SCHEMBL1721345 0.82 PDE9A (0.47) PDE9APDE5A
SCHEMBL1723938 0.81 PDE9A (0.43) PDE9APDE5AAKT1NOTUM
SCHEMBL12044656 0.81 PDE9A (0.46) PDE9APDE5ANOTUM

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 4/4885NR3C2 4794/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885NR3C2 4869/4885

“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.