SCHEMBL3604582

SCHEMBL3604582

COCCN(C)C(=O)c1ccc2[nH]c(=O)c3cnc(N4C=CC=CC=C4)n3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 3/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ITK Q08881 1/20 0.39
USP1 O94782 1/20 0.37
LRRK2 Q5S007 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 3/20 0.35
ATR Q13535 2/20 0.34
HDAC4 P56524 1/20 0.34
HTR7 P34969 1/20 0.34
BRPF1 P55201 1/20 0.34
MAP4K1 Q92918 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL3592066 0.86 PDE9A (0.41) PDE9ATLR8TLR7ITKUSP1
SCHEMBL13503492 0.86 PDE9A (0.40) PDE9ATLR8TLR7ITKUSP1
SCHEMBL3594851 0.86 PDE9A (0.40) PDE9ATLR8TLR7ITKUSP1
SCHEMBL3591733 0.85 PDE9A (0.55) PDE9ATLR8TLR7BRPF1CDK1
SCHEMBL3583521 0.85 TLR8 (0.43) PDE9ATLR8TLR7ITKUSP1
SCHEMBL3606240 0.82 PDE9A (0.50) PDE9ATLR8TLR7ITKUSP1
SCHEMBL3603844 0.82 ATR (0.45) PDE9ATLR8TLR7ITKUSP1
SCHEMBL11997320 0.81 PDE9A (0.41) PDE9ATLR8TLR7ITKUSP1
SCHEMBL3602977 0.80 PDE9A (0.48) PDE9ATLR8TLR7ITKUSP1
SCHEMBL3591785 0.80 PDE9A (0.57) PDE9ATLR8TLR7ITKUSP1

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 9 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-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 1/4885TLR8 3673/4885TLR7 2557/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885TLR8 3508/4885TLR7 2035/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885TLR8 3673/4885TLR7 2557/4885

“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.