SCHEMBL3595215

SCHEMBL3595215

COCCN(C)C(=O)c1ccc2[nH]c(=O)c3c(C)nc(-c4ccccc4)n3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
TLR7 Q9NYK1 2/20 0.46
ITK Q08881 1/20 0.44
ATR Q13535 2/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PRKD3 O94806 1/20 0.41
CDK1 P06493 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL3491789 0.90 TLR8 (0.38) TLR8TLR7ITKATRPDE2A
SCHEMBL3494352 0.88 PDE2A (0.37) TLR8TLR7ITKROCK2ROCK1
SCHEMBL3603844 0.85 ATR (0.45) TLR8TLR7ITKATRROCK2
SCHEMBL1723378 0.85 KDM4E (0.52) TLR8TLR7ITKATRROCK2
SCHEMBL3589339 0.82 TLR8 (0.43) TLR8TLR7ITKPDE2APDE6D
SCHEMBL3583521 0.82 TLR8 (0.43) TLR8TLR7ITKROCK2ROCK1
SCHEMBL11997342 0.82 TLR8 (0.42) TLR8TLR7ITKMAPK1PDE2A
SCHEMBL3589144 0.82 TLR8 (0.42) TLR8TLR7ITKMAPK1PDE2A
SCHEMBL3591362 0.81 PDE2A (0.46) AURKAPDE2APDE6DPDE8APDE5A
SCHEMBL3595214 0.81 TLR8 (0.42) TLR8TLR7ITKPDE2APDE6D

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2489667-B1 Quinoxaline derivative ASKA PHARM CO LTD (JP) 2015-04-15 EP claimed
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 TLR8 3673/4885TLR7 2557/4885ITK 4514/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 TLR8 3508/4885TLR7 2035/4885ITK 4807/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A TLR8 3673/4885TLR7 2557/4885ITK 4514/4885

“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.