SCHEMBL7904294

SCHEMBL7904294

Cc1cc2c(cc1C(=O)N1Cc3ccccc3C[C@@H]1CO)[nH]c(=O)c1cnc(C3CCOCC3)n12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 11/20 0.42
PDE5A O76074 1/20 0.42
BCL2 P10415 7/20 0.40
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL7902967 1.00 PDE9A (0.42) PDE9APDE5ABCL2PDE1APDE1B
SCHEMBL7908782 0.88 PDE9A (0.42) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL12045099 0.88 BCL2 (0.40) BCL2
SCHEMBL12045102 0.88 BCL2 (0.40) BCL2
SCHEMBL7905278 0.87 PDE9A (0.43) PDE9APDE5ABCL2
SCHEMBL1721345 0.87 PDE9A (0.47) PDE9APDE5APDE1APDE1BPDE1C
SCHEMBL12045121 0.85 BCL2 (0.40) BCL2
SCHEMBL12045122 0.85 BCL2 (0.40) BCL2
SCHEMBL7907347 0.85 SPR (0.47) PDE9APDE5A
SCHEMBL7896928 0.85 PDE9A (0.45) PDE9APDE5A

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 PDE9A 1/4885PDE5A 4/4885BCL2 3761/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885BCL2 3937/4885

“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.