SCHEMBL7900333

SCHEMBL7900333

Cc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCc2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.39
PIK3CD O00329 1/20 0.38
CYP3A4 P08684 1/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
NOTUM Q6P988 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.36
SCN9A Q15858 2/20 0.36
SCN5A Q14524 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
AVPR1A P37288 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL12044758 0.97 AVPR2 (0.39) AVPR2PIK3CDCYP3A4AKT1PIK3CA
SCHEMBL7905896 0.94 NOTUM (0.37) NOTUML3MBTL1
SCHEMBL7904316 0.93 AVPR2 (0.38) AVPR2PIK3CDCYP3A4AKT1PIK3CA
SCHEMBL7908028 0.92 ALDH1A1 (0.37) NOTUMCDK4CCND1L3MBTL1
SCHEMBL7900332 0.91 TUBB4A (0.35) PIK3CDPIK3CBL3MBTL1
SCHEMBL7913667 0.91 PIK3CD (0.38) PIK3CDCYP3A4AKT1PIK3CAPIK3CB
SCHEMBL7902975 0.90 AVPR2 (0.43) AVPR2NOTUMGPBAR1SCN9ASCN5A
SCHEMBL7896968 0.90 AVPR2 (0.43) AVPR2NOTUMGPBAR1SCN9ASCN5A
SCHEMBL12045108 0.90 L3MBTL1 (0.44) L3MBTL1
SCHEMBL15103236 0.89 PIK3CD (0.38) AVPR2PIK3CDCYP3A4AKT1PIK3CA

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 9 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-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 AVPR2 1884/4885PIK3CD 2112/4885CYP3A4 2775/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A AVPR2 2324/4885PIK3CD 1352/4885CYP3A4 3950/4885

“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.