SCHEMBL7912424

SCHEMBL7912424

COC(=O)c1ccc2c(c1)CCN(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1C)C2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.43
PDE5A O76074 1/20 0.42
PRKDC P78527 1/20 0.40
ENPP2 Q13822 4/20 0.39

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
SCHEMBL14828367 0.90 PDE9A (0.44) PDE9APDE5AENPP2
SCHEMBL12045035 0.89 PDE9A (0.47) PDE9APDE5AENPP2
SCHEMBL7896928 0.89 PDE9A (0.45) PDE9APDE5A
SCHEMBL7908580 0.88 PDE9A (0.51) PDE9APDE5A
SCHEMBL7908777 0.88 PDE9A (0.45) PDE9APDE5A
SCHEMBL14828364 0.88 PDE9A (0.44) PDE9APDE5AENPP2
SCHEMBL7908581 0.87 PDE9A (0.42) PDE9APDE5A
SCHEMBL18214720 0.87 PDE9A (0.42) PDE9APDE5AENPP2
SCHEMBL12044995 0.87 PDE9A (0.45) PDE9APDE5AENPP2
SCHEMBL12045033 0.87 PDE9A (0.44) PDE9APDE5AENPP2

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 4/4885PRKDC 2849/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885PRKDC 2090/4885

“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.