SCHEMBL9979334

SCHEMBL9979334

COc1cc2c(cc1C(=O)N1Cc3ccccc3CC1CO)[nH]c(=O)c1cnc(-c3ccccc3)n12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.42
BCL2 P10415 14/20 0.41
NR1D1 P20393 5/20 0.41
BAD Q92934 3/20 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
SCHEMBL1722666 0.86 PDE9A (0.61) PDE9ABCL2NR1D1
SCHEMBL12044649 0.86 PDE9A (0.61) PDE9ABCL2NR1D1
SCHEMBL3595181 0.80 PDE9A (0.49) PDE9A
SCHEMBL3599982 0.79 PDE9A (0.49) PDE9A
SCHEMBL3605996 0.79 PDE9A (0.48) PDE9A
SCHEMBL3597951 0.79 PDE9A (0.50) PDE9A
SCHEMBL3595669 0.78 PDE9A (0.48) PDE9A
SCHEMBL3491849 0.76 PDE9A (0.62) PDE9A
SCHEMBL12044353 0.76 BCL2 (0.38) BCL2NR1D1BAD
SCHEMBL3596931 0.76 PDE9A (0.51) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 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
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US 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 1/4885BCL2 3761/4885NR1D1 3508/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885BCL2 3937/4885NR1D1 4406/4885

“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.