SCHEMBL7907259

SCHEMBL7907259

CC(C)c1ncc2c(=O)[nH]c3cc(C(=O)N4CCOC(c5ccccc5)C4)ccc3n12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.54
PDE5A O76074 1/20 0.48
PDE2A O00408 9/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAMPT P43490 1/20 0.39
PARP1 P09874 1/20 0.38
USP30 Q70CQ3 1/20 0.38
AURKB Q96GD4 1/20 0.38
USP1 O94782 1/20 0.37

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 0.77 GRIN2D (0.44) PDE2AMEN1POLBTHRBTSHR
SCHEMBL7909011 0.76 MGLL (0.38) PDE9APDE2AMEN1POLBTHRB
SCHEMBL3597406 0.76 PDE9A (0.77) PDE9APDE5AKMT2APARP1
SCHEMBL7899488 0.75 PDE9A (0.49) PDE9APDE5APDE2AUSP30
SCHEMBL7908675 0.74 PDE9A (0.44) PDE9APDE5A
SCHEMBL7908762 0.72 PDE9A (0.54) PDE9APDE5APOLBPARP1AURKB
SCHEMBL3589813 0.72 JAK2 (0.49) MEN1POLBTHRBTSHRRECQL
SCHEMBL3493451 0.71 PDE9A (1.00) PDE9APDE5AMEN1KMT2A
SCHEMBL7902966 0.71 PDE9A (0.60) PDE9APDE5APDE2A
SCHEMBL3589280 0.69 PDE9A (0.69) PDE9APDE5AMEN1POLBKMT2A

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 PDE9A 1/4885PDE5A 4/4885PDE2A 2/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A PDE9A 1/4885PDE5A 2/4885PDE2A 4/4885

“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.