SCHEMBL12044752

SCHEMBL12044752

Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1cnc(C3CCOC3)n12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.43
PDE5A O76074 2/20 0.41
AVPR2 P30518 2/20 0.38
SCN9A Q15858 2/20 0.37
NOTUM Q6P988 1/20 0.36
SCN5A Q14524 1/20 0.36
PIK3CD O00329 1/20 0.36
CYP3A4 P08684 1/20 0.36
AKT1 P31749 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
AVPR1A P37288 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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
SCHEMBL12044672 0.96 PDE9A (0.46) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1725452 0.95 PDE9A (0.46) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL7896957 0.93 PDE9A (0.41) PDE9APDE5ANOTUMCDK4CCND1
SCHEMBL7896964 0.91 PDE9A (0.40) PDE9APDE5ANOTUMPIK3CDCYP3A4
SCHEMBL12044656 0.90 PDE9A (0.46) PDE9APDE5ANOTUMPDE1APDE1B
SCHEMBL10053376 0.89 PDE9A (0.40) PDE9APDE5ASCN9ANOTUMSCN5A
SCHEMBL9979352 0.89 PDE9A (0.47) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1721744 0.89 PDE9A (0.47) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1721742 0.89 PDE9A (0.47) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL7909213 0.88 PDE9A (0.43) PDE9APDE5ANOTUMCDK4CCND1

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 6 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

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 4/4885AVPR2 1884/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885AVPR2 2324/4885

“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.