SCHEMBL3598766

SCHEMBL3598766

COc1cc2c(cc1C(=O)O)[nH]c(=O)c1c(C)nc(-c3ccccc3)n12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
DHODH Q02127 5/20 0.40
PDE10A Q9Y233 4/20 0.40
PDE2A O00408 3/20 0.40
PDE5A O76074 2/20 0.40
PDE4A P27815 2/20 0.40
PDE9A O76083 2/20 0.40
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE6D O43924 1/20 0.40
PDE8A O60658 1/20 0.40
PDE8B O95263 1/20 0.40
PDE6A P16499 1/20 0.40
PDE6G P18545 1/20 0.40
PDE6B P35913 1/20 0.40
PDE6C P51160 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40

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
SCHEMBL3591869 0.92 PDE2A (0.41) KDM4EALDH1A1HPGDDHODHPDE10A
SCHEMBL3598874 0.90 PDE9A (0.50) KDM4EALDH1A1HPGDDHODHPDE10A
SCHEMBL3595181 0.82 PDE9A (0.49) KDM4EALDH1A1HPGDDHODHPDE5A
SCHEMBL3591362 0.79 PDE2A (0.46) KDM4EALDH1A1HPGDPDE10APDE2A
SCHEMBL3598763 0.78 PDE9A (0.57) KDM4EALDH1A1HPGDPDE10APDE5A
SCHEMBL3605996 0.75 PDE9A (0.48) KDM4EALDH1A1HPGDPDE5APDE9A
SCHEMBL972909 0.74 ADORA3 (0.53) KDM4EALDH1A1HPGDPDE10APDE2A
SCHEMBL3595824 0.74 PDE2A (0.53) KDM4EALDH1A1HPGDPDE10APDE2A
SCHEMBL3595669 0.74 PDE9A (0.48) KDM4EHPGDPDE9AMEN1NPC1
SCHEMBL3598272 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDPDE2APDE9A

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
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2489667-B1 Quinoxaline derivative ASKA PHARM CO LTD (JP) 2015-04-15 EP 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 KDM4E 1972/4885ALDH1A1 858/4885HPGD 1121/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 KDM4E 1990/4885ALDH1A1 1387/4885HPGD 1092/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A KDM4E 1972/4885ALDH1A1 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.