SCHEMBL7905933

SCHEMBL7905933

COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.49
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE5A O76074 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7908554 0.90 PDE9A (0.43) PDE9AKMT2AMEN1PDE5A
SCHEMBL7899527 0.90 PDE9A (0.47) PDE9AKDM4EKMT2ALMNAALDH1A1
SCHEMBL7905016 0.89 PDE9A (0.46) PDE9AKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7899529 0.88 PDE9A (0.45) PDE9AKDM4EKMT2ALMNAALDH1A1
SCHEMBL7911554 0.87 MAPK1 (0.50) PDE9AKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL7908580 0.86 PDE9A (0.51) PDE9AKDM4EKMT2AMEN1LMNA
SCHEMBL7911608 0.84 PDE9A (0.42) PDE9APDE5A
SCHEMBL471099 0.81 PDE9A (0.46) PDE9APDE5A
SCHEMBL7905991 0.81 PDE9A (0.49) PDE9APDE5A
SCHEMBL14826993 0.81 PDE9A (0.49) PDE9APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 PDE9A 1/4885KDM4E 1337/4885KMT2A 3086/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885KDM4E 641/4885KMT2A 2038/4885

“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.