SCHEMBL12043307

SCHEMBL12043307

Cc1cc2c(cc1C(=O)O)[nH]c(=O)c1c(C)nc(C3CCOCC3)n12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.36
PDE1B Q01064 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KCNH2 Q12809 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
SCHEMBL12043778 0.89 PDE9A (0.38) PDE9A
SCHEMBL12044804 0.85 PLAT (0.38)
SCHEMBL7911518 0.83 PDE9A (0.37) PDE9APDE1BCHRM2CHRM4CHRM5
SCHEMBL471001 0.83 PDE9A (0.54) PDE9APDE1B
SCHEMBL12044959 0.81 BRD4 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3493235 0.80 PDE9A (0.39) PDE9APDE1BCHRM2CHRM4CHRM5
SCHEMBL12044863 0.80 PIK3CD (0.40)
SCHEMBL12044867 0.80 CRBN (0.38)
SCHEMBL12044811 0.80 PIK3CD (0.40) PDE9A
SCHEMBL12043281 0.79 PRKDC (0.35) PDE9A

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-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 US disclosed
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 1/4885PDE1B 30/4885CHRM2 880/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE1B 48/4885CHRM2 1686/4885

“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.