SCHEMBL3601929

SCHEMBL3601929

COCCN(C)C(=O)c1ccc2c(c1)[nH]c(=O)c1cnc(-c3ccccc3)n12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.50
ATR Q13535 2/20 0.45
ITK Q08881 1/20 0.45
BRPF1 P55201 2/20 0.44
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP1 O94782 1/20 0.41
PDE5A O76074 2/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
PLK4 O00444 1/20 0.38
AURKA O14965 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

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
SCHEMBL3603844 0.93 ATR (0.45) PDE9AATRITKBRPF1TLR8
SCHEMBL3595075 0.90 PDE9A (0.52) PDE9AITKBRPF1TLR8TLR7
SCHEMBL3583650 0.90 PDE9A (0.52) PDE9AITKBRPF1TLR8TLR7
SCHEMBL3584324 0.88 PDE9A (0.54) PDE9AITKBRPF1MEN1KMT2A
SCHEMBL3493743 0.88 PDE9A (0.40) PDE9AATRITKBRPF1TLR8
SCHEMBL3592929 0.85 PDE9A (0.67) PDE9ABRPF1MEN1KMT2APDE5A
SCHEMBL3596869 0.85 PDE9A (0.50) PDE9AATRITKTLR8TLR7
SCHEMBL3585025 0.85 PDE9A (0.43) PDE9AATRITKUSP1ROCK2
SCHEMBL3602445 0.85 PDE9A (0.47) PDE9AATRITKUSP1PDE5A
SCHEMBL3492051 0.84 PDE9A (0.40) PDE9AATRITKBRPF1TLR8

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 1/4885ATR 1249/4885ITK 4514/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885ATR 1597/4885ITK 4807/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885ATR 1249/4885ITK 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.