SCHEMBL7906841

SCHEMBL7906841

Cc1c[nH]c(C2CCOCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.33
TGFBR1 P36897 1/20 0.33
CHRM4 P08173 1/20 0.33
PDE1B Q01064 1/20 0.33
DAO P14920 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
CFTR P13569 1/20 0.32
MAPK1 P28482 1/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 0.32
KDM5B Q9UGL1 1/20 0.31
PDE2A O00408 3/20 0.31
IL2 P60568 1/20 0.30
MAP4K1 Q92918 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL15724298 0.82 NPC1 (0.40) MAPK1
SCHEMBL15554979 0.81
SCHEMBL728552 0.81 NPC1 (0.42) JAK2JAK1
SCHEMBL14826727 0.80 IRAK4 (0.36) IRAK4JAK2JAK1
SCHEMBL17603885 0.74 MAP3K12 (0.32) DAOIRAK4
SCHEMBL9895136 0.73 GRIN2D (0.30)
SCHEMBL17603714 0.72 HTR2C (0.36) IRAK4MAPK1PDE2AIL2MAP4K1
SCHEMBL18322752 0.70 KDM5B (0.37) TDP2PDE1BDAOIRAK4CFTR
SCHEMBL15555033 0.69 TGFBR1 (0.33) TDP2TGFBR1DAO
SCHEMBL20798445 0.68 FASN (0.34) TDP2TGFBR1PDE1BDAO

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
EP-2404922-B1 QUINOXALINE COMPOUNDS ASTELLAS PHARMA INC (JP) 2016-11-09 EP 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 (1 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-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A TDP2 498/4885TGFBR1 3660/4885CHRM4 2029/4885

“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.