SCHEMBL7909967

SCHEMBL7909967

CCCc1nnc2c(=O)[nH]c3cc(C(=O)N4CCc5cc(OC)c(OC)cc5C4C)ccc3n12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 3/20 0.49
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
KDM4E B2RXH2 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7906794 0.89 MTNR1B (0.45) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL18214719 0.85 KMT2A (0.45) KMT2AMEN1HTTSMN1; SMN2NCOA1
SCHEMBL7899490 0.85 MAPK1 (0.52) KMT2AMEN1HTTKDM4EGRIN2D
SCHEMBL7908596 0.79 GRIN2D (0.44) KMT2AMEN1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL7907945 0.79 GRIN2D (0.44) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL1723437 0.78 SMN1; SMN2 (0.53) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL7900291 0.78 GRIN2D (0.50) KMT2AMEN1GRIN2DGRIN3BGRIA1
SCHEMBL7906360 0.76 GRIN2D (0.54) KMT2AMEN1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL7900303 0.76 GRIN2D (0.41) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL7903009 0.76 GRIN2D (0.52) KMT2AMEN1SMN1; SMN2KDM4EGRIN2D

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 KMT2A 3086/4885MEN1 3293/4885HTT 3812/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A KMT2A 2038/4885MEN1 2870/4885HTT 3326/4885

“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.