SCHEMBL3493769

SCHEMBL3493769

CC(C)OCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.44
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
TLR9 Q9NR96 3/20 0.38
ATR Q13535 2/20 0.38
BRPF1 P55201 2/20 0.37
USP1 O94782 1/20 0.36
PARP1 P09874 2/20 0.36
ITK Q08881 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RIOK2 Q9BVS4 1/20 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
SCHEMBL3603844 0.90 ATR (0.45) PDE9ATLR8TLR7TLR9ATR
SCHEMBL3492051 0.89 PDE9A (0.40) PDE9ATLR8TLR7TLR9ATR
SCHEMBL3493345 0.88 PDE9A (0.40) PDE9ATLR8TLR7TLR9ATR
SCHEMBL3594117 0.87 PDE9A (0.43) PDE9ATLR8TLR7TLR9BRPF1
SCHEMBL3601815 0.87 PARP1 (0.47) PDE9ATLR8TLR7TLR9ATR
SCHEMBL3493979 0.87 PDE9A (0.39) PDE9ATLR8TLR7TLR9ATR
SCHEMBL3493743 0.87 PDE9A (0.40) PDE9ATLR8TLR7TLR9ATR
SCHEMBL3599500 0.85 PDE9A (0.45) PDE9ATLR8TLR7TLR9BRPF1
SCHEMBL3585674 0.83 USP1 (0.44) PDE9ATLR8TLR7ATRUSP1
SCHEMBL3599166 0.83 PDE9A (0.55) PDE9ATLR8TLR7BRPF1CDK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2103613-B1 QUINOXALINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-02-17 EP disclosed
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2848620-A1 Quinoxaline derivatives ASKA Pharmaceutical Co., Ltd. (JP) 2015-03-18 EP disclosed
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR ASKA PHARM CO LTD (JP) 2014-11-13 US disclosed
US-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor OKADA MAKOTO (JP) 2013-08-29 US disclosed
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP disclosed
EP-2103613-A1 QUINOXALINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-09-23 EP 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 (4 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-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor PDE9A, ADCY9, PDE3A PDE9A 1/4885TLR8 3673/4885TLR7 2557/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885TLR8 3508/4885TLR7 2035/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885TLR8 3673/4885TLR7 2557/4885
US-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE9A 6/4885TLR8 3647/4885TLR7 4295/4885

“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.