SCHEMBL3595887

SCHEMBL3595887

CCN(C)C(=O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 6/20 0.52
GRIN2B Q13224 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RIOK2 Q9BVS4 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
OXTR P30559 1/20 0.37
KDM5A P29375 1/20 0.36
BRPF1 P55201 1/20 0.35
RECQL P46063 1/20 0.35
SPR P35270 1/20 0.34
PDE5A O76074 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL3595836 0.93 PDE9A (0.51) PDE9AGRIN2BMEN1KMT2AHSD17B10
SCHEMBL3596931 0.92 PDE9A (0.51) PDE9AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3491849 0.91 PDE9A (0.62) PDE9AGRIN2BMEN1KMT2AALDH1A1
SCHEMBL3596869 0.90 PDE9A (0.50) PDE9AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3593020 0.87 PDE9A (0.51) PDE9AGRIN2BKDM5ABRPF1SPR
SCHEMBL3585753 0.87 PDE9A (0.58) PDE9AGRIN2BMEN1KMT2AHSD17B10
SCHEMBL3595181 0.86 PDE9A (0.49) PDE9AMEN1KMT2AALDH1A1HPGD
SCHEMBL3605996 0.86 PDE9A (0.48) PDE9AMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3492434 0.85 PDE9A (0.64) PDE9AGRIN2BMEN1KMT2AHSD17B10
SCHEMBL3595669 0.85 PDE9A (0.48) PDE9AMEN1KMT2AHPGDRIOK2

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 1/4885GRIN2B 3885/4885MEN1 4005/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885GRIN2B 3251/4885MEN1 4034/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885GRIN2B 3885/4885MEN1 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.