SCHEMBL7911554

SCHEMBL7911554

COc1cc2c(cc1OC)C(c1cccs1)N(C(=O)c1cc3[nH]c(=O)c4cnc(C5CCOCC5)n4c3cc1C)CC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.49
KMT2A Q03164 8/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 3/20 0.44
PDE9A O76083 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
GRIN2C Q14957 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
SCHEMBL7906346 0.90 PDE9A (0.39) MAPK1NPC1KMT2AMEN1PDE9A
SCHEMBL7905016 0.90 PDE9A (0.46) MAPK1NPC1KMT2AMEN1KDM4E
SCHEMBL7912495 0.88 PDE9A (0.39) MAPK1NPC1PDE9A
SCHEMBL7905933 0.87 PDE9A (0.49) MAPK1KMT2AMEN1KDM4EPDE9A
SCHEMBL7899527 0.84 PDE9A (0.47) KMT2AKDM4EPDE9AHPGDALDH1A1
SCHEMBL7899529 0.83 PDE9A (0.45) KMT2AKDM4EPDE9AHPGDALDH1A1
SCHEMBL7908218 0.81 PDE9A (0.40) PDE9A
SCHEMBL7908580 0.80 PDE9A (0.51) MAPK1KMT2AMEN1KDM4EPDE9A
SCHEMBL12045020 0.80 LHCGR (0.43) PDE9A
SCHEMBL7906942 0.80 HHAT (0.42) MAPK1PDE9A

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 MAPK1 2269/4885NPC1 3186/4885KMT2A 3086/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A MAPK1 3735/4885NPC1 3498/4885KMT2A 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.