SCHEMBL20147882

SCHEMBL20147882

Cc1nonc1NC(=O)Cn1c2ccccc2c2nc3nonc3nc21

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.78
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SAE1 Q9UBE0 2/20 0.47
UBA2 Q9UBT2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
TCF4 P15884 1/20 0.46
HTT P42858 1/20 0.42
BCHE P06276 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL18249633 0.88 CTNNB1 (1.00) CTNNB1KMT2ATCF4BCHE
SCHEMBL20147884 0.81 CTNNB1 (0.79) CTNNB1ALDH1A1HPGDSAE1UBA2
SCHEMBL18249656 0.80 CTNNB1 (1.00) CTNNB1KDM4ETCF4
SCHEMBL18257902 0.79 CTNNB1 (1.00) CTNNB1ALDH1A1HPGDSAE1UBA2
SCHEMBL23876449 0.78 CTNNB1 (0.81) CTNNB1ALDH1A1KMT2ATCF4BCHE
SCHEMBL23876445 0.76 CTNNB1 (0.79) CTNNB1ALDH1A1TCF4BCHE
SCHEMBL20147875 0.74 CTNNB1 (0.80) CTNNB1ALDH1A1HPGDSAE1UBA2
SCHEMBL20147874 0.74 CTNNB1 (0.67) CTNNB1ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL18257906 0.74 CTNNB1 (1.00) CTNNB1ALDH1A1HPGDSAE1UBA2
SCHEMBL18249664 0.73 CTNNB1 (1.00) CTNNB1ALDH1A1KDM4ETSHRTCF4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 1/4885ALDH1A1 4213/4885HPGD 3150/4885

“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.