SCHEMBL7906945

SCHEMBL7906945

Cc1cc2c(cc1C(=O)N1CCc3ccccc3C1Cc1ccncc1)[nH]c(=O)c1nnc(C3CCOCC3)n12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SPR P35270 3/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MMP14 P50281 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE1A P54750 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL7908890 0.97 PARP1 (0.33) PDE9ASMN1; SMN2PARP1
SCHEMBL7908222 0.91 PDE9A (0.39) PDE9APDE1A
SCHEMBL12045103 0.88 TRPM8 (0.36) SPR
SCHEMBL7908612 0.85 TRPM8 (0.36) SPR
SCHEMBL12044855 0.85
SCHEMBL7905675 0.84 ALDH1A1 (0.34) SPRPARP1KDM4EMEN1ALDH1A1
SCHEMBL12044376 0.84 HCRTR1 (0.33) SPRPARP1LMNA
SCHEMBL7905284 0.82 HSD11B1 (0.32) SPRPARP1KDM4EALDH1A1HPGD
SCHEMBL12045127 0.82
SCHEMBL12045092 0.80 MMP9 (0.35)

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 PDE9A 1/4885SMN1; SMN2 2332/4885SPR 3000/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885SMN1; SMN2 2187/4885SPR 2335/4885

“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.