SCHEMBL3591733

SCHEMBL3591733

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 8/20 0.55
FYN P06241 1/20 0.36
KDM5A P29375 1/20 0.34
PDE5A O76074 3/20 0.33
B3GNT2 Q9NY97 4/20 0.33
CDK2 P24941 3/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CDK1 P06493 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
BRPF1 P55201 1/20 0.33
PDE2A O00408 1/20 0.32
PDE6D O43924 1/20 0.32
PDE8A O60658 1/20 0.32
PDE8B O95263 1/20 0.32
PDE6A P16499 1/20 0.32
PDE6G P18545 1/20 0.32
PDE4A P27815 1/20 0.32
PDE6B P35913 1/20 0.32

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
SCHEMBL3592941 0.88 PDE9A (0.40) PDE9APDE5AB3GNT2PDE2APDE6D
SCHEMBL3604582 0.85 PDE9A (0.41) PDE9ACDK2CDK1TLR8TLR7
SCHEMBL3597983 0.84 PDE9A (0.54) PDE9AFYNKDM5ACDK2CDK4
SCHEMBL11997350 0.83 PDE9A (0.53) PDE9AFYNKDM5ACDK2CDK4
SCHEMBL3582807 0.83 PDE9A (0.53) PDE9AFYNKDM5ACDK2CDK4
SCHEMBL3600841 0.82 PDE9A (0.43) PDE9AFYNKDM5APDE5AB3GNT2
SCHEMBL3600067 0.81 PDE9A (0.62) PDE9AKDM5APDE5A
SCHEMBL3593698 0.80 PDE9A (0.59) PDE9AKDM5APDE5A
SCHEMBL3598994 0.79 PDE9A (0.64) PDE9AKDM5APDE5A
SCHEMBL3599166 0.78 PDE9A (0.55) PDE9AFYNCDK2CDK1TLR8

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 1/4885FYN 1751/4885KDM5A 522/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885FYN 1771/4885KDM5A 721/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885FYN 1751/4885KDM5A 522/4885

“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.