SCHEMBL7909011

SCHEMBL7909011

O=C(c1ccc2c(c1)[nH]c(=O)c1nnc(C3CCOCC3)n12)N1CCOC(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
NAMPT P43490 1/20 0.37
AURKB Q96GD4 1/20 0.37
PDE9A O76083 2/20 0.37
PARP1 P09874 1/20 0.36
USP30 Q70CQ3 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
CNR2 P34972 1/20 0.35
PDE2A O00408 3/20 0.34

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
SCHEMBL7898161 0.83 GRIN2D (0.44) NAMPTAURKBPARP1TSHRMEN1
SCHEMBL7898135 0.83 AURKB (0.41) MGLLNAMPTAURKBPARP1MEN1
SCHEMBL7904924 0.81 ALDH1A1 (0.39) PDE9APARP1MEN1POLBTHRB
SCHEMBL7908675 0.77 PDE9A (0.44) PDE9A
SCHEMBL7907259 0.76 PDE9A (0.54) NAMPTAURKBPDE9APARP1USP30
SCHEMBL7905932 0.76 TNKS (0.39) AURKBPARP1POLBKMT2AHSD17B10
SCHEMBL7904483 0.74 GRIN2D (0.46) AURKBPARP1TSHRMEN1POLB
SCHEMBL18203162 0.73 POLB (0.53) PDE9AMEN1POLBKMT2AALDH1A1
SCHEMBL14828369 0.73 KRAS (0.35) PARP1USP30TSHRPOLBHSD17B10
SCHEMBL10186483 0.72 GRIN2D (0.45) USP30PDE2A

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 MGLL 1014/4885NAMPT 807/4885AURKB 4313/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A MGLL 828/4885NAMPT 604/4885AURKB 4294/4885

“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.