SCHEMBL3596869

SCHEMBL3596869

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.50
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATR Q13535 2/20 0.38
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
PRKD3 O94806 1/20 0.36
CDK1 P06493 1/20 0.36
PIM1 P11309 1/20 0.36
PRKACA P17612 1/20 0.36
CDK2 P24941 1/20 0.36
MARK3 P27448 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL3595836 0.92 PDE9A (0.51) PDE9AHPGDHSD17B10KDM4ENPC1
SCHEMBL3595887 0.90 PDE9A (0.52) PDE9AHPGDHSD17B10KDM4EMEN1
SCHEMBL3602445 0.90 PDE9A (0.47) PDE9AHPGDHSD17B10KDM4EATR
SCHEMBL3491849 0.88 PDE9A (0.62) PDE9AHPGDKDM4EPIM1CDK5
SCHEMBL3585025 0.88 PDE9A (0.43) PDE9AHSD17B10ATRPLK4AURKA
SCHEMBL3596931 0.86 PDE9A (0.51) PDE9AHPGDHSD17B10KDM4ECDK5
SCHEMBL3603844 0.85 ATR (0.45) PDE9AATRPLK4AURKAROCK2
SCHEMBL3601929 0.85 PDE9A (0.50) PDE9AATRPLK4AURKAROCK2
SCHEMBL3585753 0.85 PDE9A (0.58) PDE9AHPGDHSD17B10KDM4ENPC1
SCHEMBL3595181 0.84 PDE9A (0.49) PDE9AHPGDKDM4EPIM1CDK5

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 1/4885HPGD 1121/4885HSD17B10 1125/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885HPGD 1092/4885HSD17B10 1095/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885HPGD 1121/4885HSD17B10 1125/4885

“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.