SCHEMBL3597035

SCHEMBL3597035

CCOc1ccc2c(c1)[nH]c(=O)c1ccc(CCC(=O)O)n12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.51
HSD17B10 Q99714 4/20 0.48
MAPT P10636 3/20 0.48
ESR2 Q92731 2/20 0.48
PDE5A O76074 2/20 0.47
GPR17 Q13304 2/20 0.39
PLA2G4A P47712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MITF O75030 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL3596890 0.89 HSD17B10 (0.46) PDE9AHSD17B10MAPTESR2PDE5A
SCHEMBL3586981 0.88 GPR17 (0.48) PDE9AHSD17B10MAPTPDE5AGPR17
SCHEMBL3595834 0.82 PDE9A (0.69) PDE9AHSD17B10MAPTPDE5AALDH1A1
SCHEMBL3593625 0.82 PDE9A (0.54) PDE9APDE5AALDH1A1KDM4E
SCHEMBL3593205 0.82 PDE9A (0.50) PDE9AHSD17B10MAPTPDE5AL3MBTL1
SCHEMBL3600583 0.81 PDE9A (0.58) PDE9AHSD17B10MAPTPDE5AL3MBTL1
SCHEMBL3585100 0.80 KDM4E (0.42) PDE9AHSD17B10MAPTL3MBTL1ALDH1A1
SCHEMBL3600356 0.80 PDE9A (0.49) PDE9AHSD17B10PDE5AGPR17L3MBTL1
SCHEMBL3589288 0.80 GRIN2D (0.53) PDE9AHSD17B10MAPTPDE5AL3MBTL1
SCHEMBL3588255 0.80 PDE9A (0.56) PDE9AHSD17B10PDE5AALDH1A1HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848620-B1 QUINOXALINE DERIVATIVES ASKA PHARM CO LTD (JP) 2016-09-28 EP disclosed
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US 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-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 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
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 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
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
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US 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
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 1/4885HSD17B10 1125/4885MAPT 4871/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885HSD17B10 1095/4885MAPT 4868/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885HSD17B10 1125/4885MAPT 4871/4885

“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.