SCHEMBL3595075

SCHEMBL3595075

CCCN(C)C(=O)c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.52
BRPF1 P55201 2/20 0.48
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE5A O76074 3/20 0.40
PARP1 P09874 2/20 0.39
ITK Q08881 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
PDK2 Q15119 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3594117 0.92 PDE9A (0.43) PDE9ABRPF1MEN1KMT2APARP1
SCHEMBL3583650 0.92 PDE9A (0.52) PDE9ABRPF1MEN1KMT2APDE5A
SCHEMBL3584324 0.92 PDE9A (0.54) PDE9ABRPF1MEN1KMT2APDE5A
SCHEMBL3601929 0.90 PDE9A (0.50) PDE9ABRPF1MEN1KMT2APDE5A
SCHEMBL3592929 0.88 PDE9A (0.67) PDE9ABRPF1MEN1KMT2APDE5A
SCHEMBL3594831 0.87 PDE9A (0.53) PDE9ABRPF1MEN1KMT2APDE5A
SCHEMBL3601815 0.85 PARP1 (0.47) PDE9ABRPF1PARP1TLR9TLR8
SCHEMBL3599500 0.84 PDE9A (0.45) PDE9ABRPF1MEN1KMT2APDE5A
SCHEMBL3598958 0.84 PDE9A (0.49) PDE9ABRPF1PDE5AKDM4EALDH1A1
SCHEMBL3493345 0.84 PDE9A (0.40) PDE9ABRPF1MEN1KMT2APDE5A

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 10 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-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US 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 (3 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 3862/4885MEN1 4005/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885BRPF1 3575/4885MEN1 4034/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885BRPF1 3862/4885MEN1 4005/4885

“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.