SCHEMBL7907322

SCHEMBL7907322

CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4CCCc5ccccc54)ccc3n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.51
OXTR P30559 2/20 0.51
AVPR1A P37288 2/20 0.51
ALDH1A1 P00352 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 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
TSHR P16473 4/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 1/20 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
SCHEMBL7906746 0.83 GRIN2D (0.53) SMN1; SMN2GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL1723437 0.83 SMN1; SMN2 (0.53) ALDH1A1LMNASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7898175 0.81 GRIN2D (0.53) ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIA1
SCHEMBL7906360 0.81 GRIN2D (0.54) ALDH1A1LMNASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7908684 0.80 GRIN2D (0.54) ALDH1A1LMNASMN1; SMN2GRIN2DGRIN3B
SCHEMBL1722297 0.79 GRIN2D (0.62) ALDH1A1SMN1; SMN2GRIN2DGRIN3BGRIA1
SCHEMBL7906716 0.79 MEN1 (0.65) ALDH1A1LMNASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7907945 0.79 GRIN2D (0.44) ALDH1A1LMNASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7913627 0.78 MEN1 (0.50) ALDH1A1LMNASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7908012 0.78 GRIN2D (0.47) ALDH1A1LMNASMN1; SMN2GRIN2DGRIN3B

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 AVPR2 1884/4885OXTR 4753/4885AVPR1A 3047/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A AVPR2 2324/4885OXTR 4691/4885AVPR1A 3253/4885

“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.