SCHEMBL3602445

SCHEMBL3602445

COCCN(C)C(=O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.47
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
MAPK1 P28482 1/20 0.38
AKT1 P31749 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
IRAK1 P51617 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKX P51817 1/20 0.38
CSNK1G2 P78368 1/20 0.38

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
SCHEMBL3585025 0.97 PDE9A (0.43) PDE9APLK4AURKAROCK2RPS6KA5
SCHEMBL3598958 0.90 PDE9A (0.49) PDE9APDE5AHSD17B10KDM4EHPGD
SCHEMBL3585496 0.90 PDE9A (0.49) PDE9AMTORPDE5AUSP1PIK3CA
SCHEMBL3596869 0.90 PDE9A (0.50) PDE9APLK4AURKAROCK2RPS6KA5
SCHEMBL3581801 0.89 PDE9A (0.48) PDE9AROCK2ROCK1PDE5A
SCHEMBL3593020 0.88 PDE9A (0.51) PDE9APDE5A
SCHEMBL3492221 0.86 PDE9A (0.61) PDE9AATRPDE5ASMN1; SMN2KDM4E
SCHEMBL3599348 0.86 KDM4E (0.47) PDE9APLK4AURKAROCK2RPS6KA5
SCHEMBL3581578 0.86 PDE9A (0.46) PDE9AKDM4E
SCHEMBL3601929 0.85 PDE9A (0.50) PDE9APLK4AURKAROCK2RPS6KA5

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 1/4885PLK4 2800/4885AURKA 2516/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885PLK4 2930/4885AURKA 3587/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885PLK4 2800/4885AURKA 2516/4885

“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.