SCHEMBL7910801

SCHEMBL7910801

CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4CCCN(Cc5ccccc5)CC4)ccc3n12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
PARP1 P09874 5/20 0.47
MAPK14 Q16539 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL7907715 0.90 GRIN2D (0.48) ALDH1A1PARP1MAPK14GRIN2DGRIN3B
SCHEMBL7904436 0.89 RAB9A (0.53) ALDH1A1PARP1GRIN2DGRIN3BGRIA1
SCHEMBL7898175 0.88 GRIN2D (0.53) ALDH1A1PARP1GRIN2DGRIN3BGRIA1
SCHEMBL7906360 0.86 GRIN2D (0.54) ALDH1A1PARP1GRIN2DGRIN3BGRIA1
SCHEMBL7898158 0.85 GRIN2D (0.47) ALDH1A1PARP1GRIN2DGRIN3BGRIA1
SCHEMBL7913627 0.85 MEN1 (0.50) ALDH1A1PARP1GRIN2DGRIN3BGRIA1
SCHEMBL7900306 0.84 MEN1 (0.51) ALDH1A1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL7908684 0.83 GRIN2D (0.54) ALDH1A1PARP1GRIN2DGRIN3BGRIA1
SCHEMBL7906931 0.82 GRIN2D (0.48) ALDH1A1PARP1GRIN2DGRIN3BGRIA1
SCHEMBL7909195 0.82 SMN1; SMN2 (0.57) ALDH1A1KDM4ETSHRSMN1; SMN2GAA

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 ALDH1A1 387/4885PARP1 2639/4885MAPK14 2522/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A ALDH1A1 1344/4885PARP1 2801/4885MAPK14 3562/4885

“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.