SCHEMBL3491789

SCHEMBL3491789

Cc1nc(-c2ccccc2)n2c1c(=O)[nH]c1ccc(C(=O)N(C)CCOC(F)(F)F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.38
TLR7 Q9NYK1 5/20 0.38
TLR9 Q9NR96 3/20 0.37
PDE2A O00408 1/20 0.37
PDE6D O43924 1/20 0.37
PDE8A O60658 1/20 0.37
PDE5A O76074 1/20 0.37
PDE9A O76083 1/20 0.37
PDE8B O95263 1/20 0.37
PDE6A P16499 1/20 0.37
PDE6G P18545 1/20 0.37
PDE4A P27815 1/20 0.37
PDE6B P35913 1/20 0.37
PDE6C P51160 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL3595215 0.90 TLR8 (0.46) TLR8TLR7TLR9PDE2APDE6D
SCHEMBL3493979 0.86 PDE9A (0.39) TLR8TLR7TLR9PDE5APDE9A
SCHEMBL3494352 0.85 PDE2A (0.37) TLR8TLR7PDE2APDE6DPDE8A
SCHEMBL3491787 0.82 PDE9A (0.38) TLR8TLR7TLR9PDE2APDE6D
SCHEMBL3591362 0.79 PDE2A (0.46) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL3595824 0.78 PDE2A (0.53) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL3603844 0.75 ATR (0.45) TLR8TLR7TLR9PDE9APARP1
SCHEMBL1723378 0.75 KDM4E (0.52) TLR8TLR7PDE2APDE10AKDM4E
SCHEMBL3492051 0.73 PDE9A (0.40) TLR8TLR7TLR9PDE9AKDM4E
SCHEMBL3493769 0.73 PDE9A (0.44) TLR8TLR7TLR9PDE9APARP1

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
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
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 US disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 EP 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 (4 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 2557/4885TLR9 1256/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 TLR8 3508/4885TLR7 2035/4885TLR9 968/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A TLR8 3673/4885TLR7 2557/4885TLR9 1256/4885
US-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD TLR8 3647/4885TLR7 4295/4885TLR9 3408/4885

“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.