SCHEMBL3593682

SCHEMBL3593682

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 6/20 0.40
KDM4E B2RXH2 5/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
PDE9A O76083 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
RIOK2 Q9BVS4 1/20 0.36
MAPT P10636 1/20 0.36
GNRHR P30968 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3596779 0.95 HSD17B10 (0.42) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3602302 0.91 HPGD (0.45) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3603844 0.89 ATR (0.45) NAMPTTLR9TLR8TLR7PDE9A
SCHEMBL3585674 0.88 USP1 (0.44) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3490924 0.86 RIOK2 (0.42) MLYCDALDH1A1HSD17B10KDM4ETLR8
SCHEMBL3493743 0.86 PDE9A (0.40) TLR9TLR8TLR7PDE9ARIOK2
SCHEMBL3599500 0.84 PDE9A (0.45) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL3594831 0.83 PDE9A (0.53) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3594117 0.83 PDE9A (0.43) ALDH1A1HPGDHSD17B10KDM4EMEN1
SCHEMBL3601815 0.83 PARP1 (0.47) TLR9TLR8TLR7PDE9A

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 MLYCD 3310/4885ALDH1A1 858/4885HPGD 1121/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 MLYCD 1941/4885ALDH1A1 1387/4885HPGD 1092/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A MLYCD 3310/4885ALDH1A1 858/4885HPGD 1121/4885

“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.