SCHEMBL1723347

SCHEMBL1723347

Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1nnc([C@H]3CC[C@@H](O)CC3)n12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.40
NOTUM Q6P988 1/20 0.38
SCN9A Q15858 2/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
SCN5A Q14524 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
AVPR1A P37288 5/20 0.35
PDE9A O76083 1/20 0.33
KCNH2 Q12809 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
SCHEMBL1723460 1.00 AVPR2 (0.40) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL12044951 1.00 AVPR2 (0.40) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL7896968 0.94 AVPR2 (0.43) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL7902975 0.94 AVPR2 (0.43) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL7905987 0.93 AVPR2 (0.40) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL12044758 0.92 AVPR2 (0.39) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL7899537 0.90 AVPR2 (0.38) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL12044949 0.89 AVPR2 (0.40) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL10053414 0.89 AVPR2 (0.40) AVPR2NOTUMSCN9ACDK4CCND1
SCHEMBL7904316 0.89 AVPR2 (0.38) AVPR2NOTUMSCN9ACDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP claimed
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-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
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
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 1884/4885NOTUM 1035/4885SCN9A 48/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A AVPR2 2324/4885NOTUM 606/4885SCN9A 77/4885

“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.