SCHEMBL7908855

SCHEMBL7908855

COc1cc(-c2nnc3c(=O)[nH]c4cc(C(=O)N5CCOC(c6ccc(Cl)cc6)C5)c(C)cc4n23)cc(F)c1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.37
PDE10A Q9Y233 1/20 0.34
HSD11B1 P28845 1/20 0.34
KRAS P01116 1/20 0.34
FASN P49327 1/20 0.33
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
JAK2 O60674 1/20 0.32
MAPT P10636 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL7907361 0.93 KRAS (0.37) PDE2AKRASTLR9TLR8TLR7
SCHEMBL7907359 0.81 HSP90AA1 (0.41) MAPT
SCHEMBL7912548 0.81 ROCK2 (0.43) PDE2A
SCHEMBL12044387 0.81 PDE2A (0.36) PDE2AKRASFASNMGLL
SCHEMBL7908413 0.80 PDE2A (0.35) PDE2AKRASFASNMAPT
SCHEMBL7902984 0.80 TRAP1 (0.37) PDE10AHSD11B1MAPT
SCHEMBL10186501 0.78 KMT2A (0.41) MAPT
SCHEMBL7906381 0.74 POLB (0.33) HSD11B1MAPT
SCHEMBL14826749 0.74 POLB (0.33) HSD11B1MAPT
SCHEMBL7899542 0.74 TRPM8 (0.36) MAPT

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 8 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
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 PDE2A 2/4885PDE10A 10/4885HSD11B1 1842/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE2A 4/4885PDE10A 17/4885HSD11B1 3724/4885

“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.