SCHEMBL7900336

SCHEMBL7900336

CCC1c2ccsc2CCN1C(=O)c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 16/20 0.42
PDE5A O76074 1/20 0.40
PDE1B Q01064 2/20 0.34
PDE1A P54750 1/20 0.34
PDE1C Q14123 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
SCHEMBL7911608 0.91 PDE9A (0.42) PDE9APDE5APDE1B
SCHEMBL7905084 0.89 PDE9A (0.41) PDE9APDE5APDE1BPDE1APDE1C
SCHEMBL7906942 0.87 HHAT (0.42) PDE9APDE5A
SCHEMBL7912495 0.87 PDE9A (0.39) PDE9APDE5A
SCHEMBL7907316 0.86 MAPK1 (0.44) PDE9APDE5APDE1BPDE1APDE1C
SCHEMBL12045020 0.85 LHCGR (0.43) PDE9A
SCHEMBL12045009 0.83 PDE9A (0.43) PDE9APDE5APDE1BPDE1A
SCHEMBL1723634 0.82 PDE9A (0.44) PDE9APDE5APDE1B
SCHEMBL7907352 0.81 PDE9A (0.41) PDE9APDE5APDE1BPDE1APDE1C
SCHEMBL14827018 0.81 PDE9A (0.46) PDE9APDE5APDE1BPDE1APDE1C

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 4 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-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
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 4/4885PDE1B 30/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885PDE1B 48/4885

“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.