Sugi Predict

Sugi Predict / Compounds / SCHEMBL20046959

SCHEMBL20046959

SCHEMBL20046959

CN(C)C1=C(C2=C(N(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HKDC1 Q2TB90 1/20 0.50
▸ MALT1 Q9UDY8 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ CDC25B P30305 3/20 0.48
▸ ALDH1A1 P00352 9/20 0.47
▸ MAPT P10636 7/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NSD2 O96028 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ RAB9A P51151 6/20 0.46
▸ NPSR1 Q6W5P4 4/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46

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
SCHEMBL20046960 0.89 IDO1 (0.52) HKDC1MALT1MEN1KMT2AALDH1A1
SCHEMBL31171425 0.88 MEN1 (0.55) HKDC1MALT1MEN1KMT2ACDC25B
SCHEMBL29967684 0.84 HKDC1 (0.51) HKDC1MALT1MEN1KMT2ACDC25B
SCHEMBL2462086 0.78 IDO1 (0.60) HKDC1MALT1MEN1KMT2ACDC25B
SCHEMBL31290114 0.78 IDO1 (0.60) HKDC1MALT1MEN1KMT2ACDC25B
SCHEMBL20043032 0.78 AURKA (0.55) HKDC1MALT1MEN1KMT2ACDC25B
SCHEMBL20046961 0.77 MALT1 (0.45) HKDC1MALT1MEN1KMT2ACDC25B
SCHEMBL20046818 0.75 MEN1 (0.44) HKDC1MALT1MEN1KMT2ACDC25B
Anthraquinone SCHEMBL27847594 0.75 CDC25B (0.75) MALT1MEN1KMT2ACDC25BALDH1A1
SCHEMBL14003716 0.74 CDC25B (0.73) MEN1KMT2ACDC25BALDH1A1MAPT

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-11459313-B2 Aziridinyl and amino dimeric naphthoquinone compounds and use for acute myeloid leukemia UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-10-04 — — US disclosed
US-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-10 — — US disclosed
US-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-10 — — US disclosed
WO-2018067842-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-04-12 — — 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-20200283417-A1 AZIRIDINYL AND AMINO DIMERIC NAPHTHOQUINONE COMPOUNDS AND USE FOR ACUTE MYELOID LEUKEMIA MCL1, NPM1, ABL1 HKDC1 4579/4885MALT1 1468/4885MEN1 1754/4885
US-11459313-B2 Aziridinyl and amino dimeric naphthoquinone compounds and use for acute myeloid leukemia MCL1, NPM1, ABL1 HKDC1 4579/4885MALT1 1468/4885MEN1 1754/4885

“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.