SCHEMBL3585674

SCHEMBL3585674

COCCN(C(=O)c1ccc2[nH]c(=O)c3cnc(-c4ccccc4)n3c2c1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.44
PDE9A O76083 1/20 0.42
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 6/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
RIOK2 Q9BVS4 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3603844 0.89 ATR (0.45) USP1PDE9ANAMPTTLR8TLR7
SCHEMBL3593682 0.88 MLYCD (0.41) PDE9ANAMPTKDM4EHSD17B10MEN1
SCHEMBL3596779 0.88 HSD17B10 (0.42) PDE9ANAMPTKDM4EHSD17B10MEN1
SCHEMBL3490924 0.86 RIOK2 (0.42) PDE9AKDM4EHSD17B10TLR8TLR7
SCHEMBL3493743 0.86 PDE9A (0.40) USP1PDE9ATLR8TLR7RIOK2
SCHEMBL3493769 0.83 PDE9A (0.44) USP1PDE9ATLR8TLR7RIOK2
SCHEMBL3601929 0.82 PDE9A (0.50) USP1PDE9ANAMPTMEN1KMT2A
SCHEMBL3599166 0.82 PDE9A (0.55) PDE9AKDM4EMEN1KMT2ATLR8
SCHEMBL3600500 0.82 ITK (0.47) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL3602302 0.81 HPGD (0.45) PDE9AKDM4EHSD17B10MEN1KMT2A

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 6 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
EP-2848620-A1 Quinoxaline derivatives ASKA Pharmaceutical Co., Ltd. (JP) 2015-03-18 EP 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 (1 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 USP1 720/4885PDE9A 1/4885NAMPT 3344/4885

“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.