SCHEMBL18249609

SCHEMBL18249609

N#CCCCn1c2ccccc2c2nc3nonc3nc21

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.86
CASP1 P29466 3/20 0.60
CASP7 P55210 3/20 0.60
KDM4E B2RXH2 3/20 0.60
HSD17B10 Q99714 3/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TCF4 P15884 1/20 0.57
ALDH1A1 P00352 3/20 0.49
POLB P06746 4/20 0.44
TSHR P16473 4/20 0.44
USP2 O75604 3/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
ESR1 P03372 1/20 0.40

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
SCHEMBL18249616 0.93 CTNNB1 (1.00) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL18249665 0.85 CTNNB1 (0.77) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL20147886 0.84 CTNNB1 (0.70) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL20147881 0.81 CTNNB1 (0.70) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL18249657 0.80 CTNNB1 (1.00) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL20147876 0.79 CTNNB1 (0.81) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL20147874 0.78 CTNNB1 (0.67) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL20149529 0.77 CTNNB1 (0.67) CTNNB1CASP1CASP7KDM4EHSD17B10
SCHEMBL18249664 0.77 CTNNB1 (1.00) CTNNB1CASP1CASP7KDM4ELMNA
SCHEMBL18257915 0.76 CTNNB1 (0.71) CTNNB1CASP1CASP7KDM4EHSD17B10

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
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-04-30 US disclosed
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2019-04-30 US disclosed
US-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2018-05-17 US disclosed
US-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2018-05-17 US disclosed
WO-2016187050-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5]OXADIAZOLO[3',4':5,6] PYRAZIONO[2,3-B]INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-11-24 WO disclosed
WO-2016187050-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5]OXADIAZOLO[3',4':5,6] PYRAZIONO[2,3-B]INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-11-24 WO 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-20180134729-A1 METHODS AND COMPOSITIONS OF SUBSTITUTED 5H-[1,2,5] OXADIAZOLO [3',4':5,6] PYRAZINO[2,3-B] INDOLE ANALOGS AS INHIBITORS OF BETA-CATENIN/T-CELL FACTOR PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, WNT3A CTNNB1 1/4885CASP1 1254/4885CASP7 1097/4885
US-10273246-B2 Methods and compositions of substituted 5H-[1,2,5] oxadiazolo [3′,4′:5,6] pyrazino[2,3-B] indole analogs as inhibitors of β-catenin/T-cell factor protein-protein interactions CTNNB1, CTNNBL1, WNT3A CTNNB1 1/4885CASP1 1219/4885CASP7 1122/4885

“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.