SCHEMBL3493804

SCHEMBL3493804

CN(Cc1cccnc1)C(=O)c1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.49
TLR7 Q9NYK1 3/20 0.49
TLR9 Q9NR96 2/20 0.46
BRPF1 P55201 2/20 0.44
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GRM5 P41594 1/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TTK P33981 1/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDE9A O76083 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3492684 0.91 BRPF1 (0.46) TLR8TLR7TLR9BRPF1KDM4E
SCHEMBL3494748 0.86 PARP1 (0.45) TLR8TLR7TLR9BRPF1KDM4E
SCHEMBL3599500 0.85 PDE9A (0.45) TLR8TLR7TLR9BRPF1KDM4E
SCHEMBL3494058 0.85 PDE9A (0.41) KDM4ERAB9AALDH1A1CYP11B1CYP11B2
SCHEMBL3601815 0.84 PARP1 (0.47) TLR8TLR7TLR9BRPF1ROCK2
SCHEMBL3594117 0.84 PDE9A (0.43) TLR8TLR7TLR9BRPF1KDM4E
SCHEMBL3599166 0.83 PDE9A (0.55) TLR8TLR7BRPF1KDM4EPOLB
SCHEMBL3579512 0.82 PIK3CA (0.55) KDM4EHSD17B10LMNAALDH1A1SMN1; SMN2
SCHEMBL3493800 0.82 PDE9A (0.53) TLR8TLR7TLR9BRPF1KDM4E
SCHEMBL3603844 0.81 ATR (0.45) TLR8TLR7TLR9BRPF1RAB9A

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 TLR8 3673/4885TLR7 2557/4885TLR9 1256/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 TLR8 3508/4885TLR7 2035/4885TLR9 968/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A TLR8 3673/4885TLR7 2557/4885TLR9 1256/4885
US-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD TLR8 3647/4885TLR7 4295/4885TLR9 3408/4885

“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.