SCHEMBL20149587

SCHEMBL20149587

CC(C)CNC(=O)c1nonc1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MCL1 Q07820 1/20 0.50
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.44
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
IKBKE Q14164 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
SCHEMBL5359897 0.80 KMT2A (0.36) KMT2AMCL1GAASMN1; SMN2KDM4E
SCHEMBL18249667 0.76 ALDH1A1 (0.51) KMT2AMCL1GAASMN1; SMN2KDM4E
SCHEMBL22207679 0.74 KMT2A (0.50) KMT2AMCL1GAASMN1; SMN2KDM4E
SCHEMBL14022267 0.73 PRKCI (0.48) KMT2AGAAKDM4EMEN1HPGD
SCHEMBL28206077 0.72 ALDH1A1 (0.51) KMT2AMCL1GAASMN1; SMN2KDM4E
SCHEMBL18257911 0.70 KMT2A (0.78) KMT2AGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL14592154 0.68 ALDH1A1 (0.47) KMT2AMCL1GAASMN1; SMN2KDM4E
SCHEMBL13343501 0.67 KMT2A (0.50) KMT2AGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL1231561 0.67 HDAC1 (0.51) KMT2AGAASMN1; SMN2KDM4E
SCHEMBL19483583 0.67 KMT2A (0.51) KMT2AGAASMN1; SMN2MEN1ALDH1A1

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 2 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-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 (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 KMT2A 4263/4885MCL1 119/4885GAA 4808/4885
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 KMT2A 4190/4885MCL1 122/4885GAA 4811/4885

“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.