SCHEMBL7908762

SCHEMBL7908762

CC(C)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCc5c(Cl)cccc5C4)ccc3n12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.54
PDE5A O76074 1/20 0.52
MAPK14 Q16539 3/20 0.41
PARP1 P09874 1/20 0.40
DYRK1A Q13627 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HPGD P15428 2/20 0.38
TRAP1 Q12931 1/20 0.38
AURKB Q96GD4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
SPR P35270 1/20 0.36
POLB P06746 1/20 0.36
MTHFD2 P13995 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL7909018 0.77 GRIN2D (0.51) MAPK14PARP1DYRK1AKDM4ETRAP1
SCHEMBL1722000 0.76 KDM4E (0.39) MAPK14PARP1KDM4EHPGDTRAP1
SCHEMBL1721772 0.75 HDAC6 (0.43) DYRK1AKDM4EHPGDSMN1; SMN2POLB
SCHEMBL7905932 0.75 TNKS (0.39) MAPK14PARP1KDM4EHPGDTRAP1
SCHEMBL7905818 0.74 PDE9A (0.54) PDE9APDE5ADYRK1AHPGDTRAP1
SCHEMBL3597406 0.74 PDE9A (0.77) PDE9APDE5APARP1KDM4EHSP90AA1
SCHEMBL18214696 0.74 SMN1; SMN2 (0.42) MAPK14PARP1DYRK1AKDM4EHPGD
SCHEMBL10187079 0.73 TRAP1 (0.39) MAPK14PARP1DYRK1AKDM4EHSP90AA1
SCHEMBL7908673 0.72 PDE9A (0.47) PDE9APDE5ASPR
SCHEMBL7907259 0.72 PDE9A (0.54) PDE9APDE5APARP1AURKBPOLB

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 7 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-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
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 1/4885PDE5A 4/4885MAPK14 2522/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885MAPK14 3562/4885

“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.