SCHEMBL1722112

SCHEMBL1722112

NC(=O)c1cc2[nH]c(=O)c3nnc(CCC(=O)O)n3c2cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.46
PDE5A O76074 2/20 0.46
GRIA1 P42261 3/20 0.44
GRIA2 P42262 3/20 0.44
GRIA3 P42263 3/20 0.44
GRIA4 P48058 3/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 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
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK4 Q16099 1/20 0.34
GRIK5 Q16478 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
SCHEMBL9091457 0.83 PDE9A (0.45) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL9080896 0.79 PDE9A (0.70) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL8364549 0.79 PDE5A (0.43) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL8365191 0.78 GRIA1 (0.42) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL8186930 0.78 PDE5A (0.42) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL8362326 0.76 GRIA1 (0.43) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL8362082 0.76 PDE5A (0.42) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL8368431 0.75 GRIA1 (0.42) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL8366433 0.72 PDE5A (0.39) PDE9APDE5AGRIA1GRIA2GRIA3
SCHEMBL9080386 0.72 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4GRIN2D

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP claimed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US claimed
US-5559106-A Heterocyclic compounds, their use and preparation NOVO NORDISK A/S (DK) 1996-09-24 US claimed
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP disclosed
US-8674096-B2 Substituted imidazo[1,5-a]quinoxalin-4-ones as phosphodiesterase 9 inhibitors ASTELLAS PHARMA INC. (JP) 2014-03-18 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
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-5559106-A Heterocyclic compounds, their use and preparation NOVO NORDISK A/S (DK) 1996-09-24 US disclosed
EP-0691969-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-01-17 EP disclosed
WO-1994021639-A1 [1,2,4] TRIAZOLO [4,3-a] QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-09-29 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 PDE9A 1/4885PDE5A 4/4885GRIA1 3726/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885GRIA1 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.