Sugi Predict

Sugi Predict / Compounds / SCHEMBL10053376

SCHEMBL10053376

SCHEMBL10053376

COCc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1cnc(C3CCOC3)n12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 12/20 0.40
▸ PDE5A O76074 2/20 0.40
▸ SCN9A Q15858 2/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ NOTUM Q6P988 1/20 0.33
▸ SLC12A2 P55011 1/20 0.33
▸ WNK1 Q9H4A3 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL1722818 0.96 PDE9A (0.43) PDE9APDE5ASCN9ASCN5APIK3CD
SCHEMBL15103351 0.89 PDE9A (0.40) PDE9APDE5AAKT1
SCHEMBL12044752 0.89 PDE9A (0.43) PDE9APDE5ASCN9ASCN5APIK3CD
SCHEMBL471051 0.88 PDE9A (0.42) PDE9APDE5A
Hydrochloric Acid SCHEMBL15103326 0.88 PDE9A (0.41) PDE9APDE5A
SCHEMBL12044876 0.88 PDE9A (0.42) PDE9APDE5APIK3CDCYP3A4AKT1
SCHEMBL7908861 0.87 PDE9A (0.43) PDE9APDE5ASCN9ASCN5APIK3CD
SCHEMBL10053824 0.85 PDE9A (0.41) PDE9APDE5A
SCHEMBL1721523 0.85 PIK3CD (0.38) SCN9ASCN5APIK3CDCYP3A4AKT1
SCHEMBL12044717 0.85 PDE9A (0.53) PDE9APDE5ASCN9ASCN5APIK3CD

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-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 — — US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 — — US disclosed
US-8901126-B2 Substituted imidazo[1,5-A]quinoxalin-4-ones are useful for preventing or treating storage dysfunction, voiding dysfunction and bladder/urethral diseases ASTELLAS PHARMA INC. (JP) 2014-12-02 — — US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 — — US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 — — US disclosed
US-20130296329-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-07 — — US disclosed
EP-2615096-A1 QUINOXALINE COMPOUND Astellas Pharma Inc. (JP) 2013-07-17 — — EP disclosed
WO-2012033101-A1 QUINOXALINE COMPOUND アステラス製薬株式会社 (JP) 2012-03-15 — — 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 (1 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-20130296329-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE2A PDE9A 1/4885PDE5A 2/4885SCN9A 103/4885

“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.