SCHEMBL3493345

SCHEMBL3493345

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.40
BRPF1 P55201 2/20 0.39
ATR Q13535 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
PARP1 P09874 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
RAB9A P51151 1/20 0.35
TLR9 Q9NR96 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NLRP3 Q96P20 1/20 0.34
RIOK2 Q9BVS4 1/20 0.34
ITK Q08881 1/20 0.34
PDE2A O00408 1/20 0.34
PDE6D O43924 1/20 0.34
PDE8A O60658 1/20 0.34
PDE5A O76074 1/20 0.34
PDE8B O95263 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
SCHEMBL3492051 0.94 PDE9A (0.40) PDE9ABRPF1ATRTLR8TLR7
SCHEMBL3594117 0.91 PDE9A (0.43) PDE9ABRPF1TLR8TLR7PARP1
SCHEMBL3603844 0.90 ATR (0.45) PDE9ABRPF1ATRTLR8TLR7
SCHEMBL3493769 0.88 PDE9A (0.44) PDE9ABRPF1ATRTLR8TLR7
SCHEMBL3601815 0.87 PARP1 (0.47) PDE9ABRPF1ATRTLR8TLR7
SCHEMBL3599500 0.87 PDE9A (0.45) PDE9ABRPF1TLR8TLR7PARP1
SCHEMBL3493979 0.87 PDE9A (0.39) PDE9ABRPF1ATRTLR8TLR7
SCHEMBL3493743 0.87 PDE9A (0.40) PDE9ABRPF1ATRTLR8TLR7
SCHEMBL3595075 0.84 PDE9A (0.52) PDE9ABRPF1TLR8TLR7PARP1
SCHEMBL3596779 0.83 HSD17B10 (0.42) PDE9ATLR8TLR7TLR9MEN1

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 1/4885BRPF1 3862/4885ATR 1249/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885BRPF1 3575/4885ATR 1597/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885BRPF1 3862/4885ATR 1249/4885
US-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE9A 6/4885BRPF1 2572/4885ATR 4578/4885

“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.