SCHEMBL3596931

SCHEMBL3596931

CCN(CC)C(=O)c1cc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.51
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 5/20 0.39
OXTR P30559 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4B Q07343 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35

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
SCHEMBL3595887 0.92 PDE9A (0.52) PDE9AMEN1KMT2AKDM4EOXTR
SCHEMBL3491849 0.90 PDE9A (0.62) PDE9AMEN1KMT2AKDM4EOXTR
SCHEMBL3595836 0.88 PDE9A (0.51) PDE9AMEN1KMT2AKDM4EOXTR
SCHEMBL3595181 0.87 PDE9A (0.49) PDE9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3606050 0.87 PDE9A (0.49) PDE9AKMT2AKDM4EALDH1A1HPGD
SCHEMBL3605996 0.86 PDE9A (0.48) PDE9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3596869 0.86 PDE9A (0.50) PDE9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3585753 0.86 PDE9A (0.58) PDE9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3595669 0.85 PDE9A (0.48) PDE9AMEN1KMT2AKDM4ERIOK2
SCHEMBL3492434 0.84 PDE9A (0.64) PDE9AMEN1KMT2AKDM4EALDH1A1

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 4 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
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR ASKA PHARM CO LTD (JP) 2014-11-13 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-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US 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 (2 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-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885MEN1 4034/4885KMT2A 1913/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885MEN1 4005/4885KMT2A 1460/4885

“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.