SCHEMBL7900306

SCHEMBL7900306

CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4CCC(Cc5ccccc5)CC4)ccc3n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MGLL Q99685 1/20 0.49
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
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
AURKB Q96GD4 1/20 0.44

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
SCHEMBL7906931 0.88 GRIN2D (0.48) MEN1KMT2AMGLLGRIN2DGRIN3B
SCHEMBL7898175 0.88 GRIN2D (0.53) MEN1KMT2AMGLLGRIN2DGRIN3B
SCHEMBL7903009 0.87 GRIN2D (0.52) MEN1KMT2AMGLLGRIN2DGRIN3B
SCHEMBL12044532 0.87 GRIN2D (0.46) MEN1KMT2AGRIN2DGRIN3BGRIA1
SCHEMBL7904436 0.86 RAB9A (0.53) MEN1KMT2AGRIN2DGRIN3BGRIA1
SCHEMBL7900291 0.85 GRIN2D (0.50) MEN1KMT2AMGLLGRIN2DGRIN3B
SCHEMBL7904483 0.85 GRIN2D (0.46) MEN1KMT2AGRIN2DGRIN3BGRIA1
SCHEMBL7913627 0.84 MEN1 (0.50) MEN1KMT2AGRIN2DGRIN3BGRIA1
SCHEMBL7906360 0.84 GRIN2D (0.54) MEN1KMT2AGRIN2DGRIN3BGRIA1
SCHEMBL7908011 0.84 GRIN2D (0.48) MEN1KMT2AGRIN2DGRIN3BGRIA1

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 8 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
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP 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 MEN1 3293/4885KMT2A 3086/4885MGLL 1014/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A MEN1 2870/4885KMT2A 2038/4885MGLL 828/4885

“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.