Sugi Predict

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SCHEMBL9979352

SCHEMBL9979352

Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1cnc([C@H]3CC[C@H](O)CC3)n12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 5/20 0.47
▸ PDE5A O76074 2/20 0.44
▸ AVPR2 P30518 3/20 0.40
▸ SCN9A Q15858 2/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ SCN5A Q14524 1/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ AVPR1A P37288 1/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ ATAD2 Q6PL18 1/20 0.33

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
SCHEMBL1721744 1.00 PDE9A (0.47) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1721742 1.00 PDE9A (0.47) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1722324 0.92 PDE9A (0.46) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1722322 0.92 PDE9A (0.46) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1722132 0.92 PDE9A (0.45) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1724121 0.92 PDE9A (0.45) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL1725452 0.92 PDE9A (0.46) PDE9APDE5AAVPR2SCN9ANOTUM
SCHEMBL12044941 0.91 PDE9A (0.43) PDE9APDE5ANOTUMCDK4CCND1
SCHEMBL12044942 0.91 PDE9A (0.43) PDE9APDE5ANOTUMCDK4CCND1
SCHEMBL15103306 0.89 PDE9A (0.47) PDE9APDE5AAVPR2SCN9ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 1/4885PDE5A 4/4885AVPR2 1884/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885AVPR2 2324/4885

“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.