SCHEMBL7900217

SCHEMBL7900217

CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4Cc5ccccc5C[C@H]4CO)ccc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
BCL2 P10415 10/20 0.37
HSD11B1 P28845 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BAD Q92934 1/20 0.35
PARP1 P09874 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
TSHR P16473 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
SCHEMBL12044519 1.00 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7906746 0.85 GRIN2D (0.53) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1723437 0.83 SMN1; SMN2 (0.53) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7908881 0.79 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7907945 0.79 GRIN2D (0.44) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7898109 0.79 GRIN2D (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7898175 0.78 GRIN2D (0.53) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7913467 0.77 GRIN2D (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7907322 0.77 AVPR2 (0.51) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL12044565 0.76 GRIN2D (0.45) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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 GRIN2D 4578/4885GRIN3B 4719/4885GRIA1 3726/4885
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.