SCHEMBL470983

SCHEMBL470983

COCc1cc2c(cc1C(=O)O)[nH]c(=O)c1nnc(CC3CC3)n12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PDE9A O76083 3/20 0.33
IDH1 O75874 1/20 0.32
GRM2 Q14416 4/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NOTUM Q6P988 1/20 0.31
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL470976 0.91 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL12043357 0.86 GRIN2D (0.44) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL470982 0.82 PDE9A (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL12043344 0.80 PDE9A (0.37) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1722302 0.80 SCN9A (0.38) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL15103320 0.80 TUBB4A (0.38) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1721985 0.80 GRIN2D (0.41) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL15103219 0.79 CYP11B2 (0.33) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL15103214 0.78 NOTUM (0.39) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL18214671 0.76 PDE9A (0.47) PDE9AIDH1KDM4EALDH1A1THRB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 US disclosed
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-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 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
WO-2012033101-A1 QUINOXALINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 WO 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 (3 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 GRIN2D 4578/4885GRIN3B 4719/4885GRIA1 3726/4885
US-20130296329-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE2A GRIN2D 4712/4885GRIN3B 4761/4885GRIA1 4346/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A GRIN2D 4810/4885GRIN3B 4848/4885GRIA1 4687/4885

“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.