Daunorubicin

Daunorubicin

SCHEMBL20185623

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)CC3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Daunorubicin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A known ✓ P11388 5/20 0.99
MEN1 O00255 10/20 1.00
THRB P10828 10/20 1.00
KMT2A Q03164 10/20 1.00
BLM P54132 9/20 1.00
RECQL P46063 8/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
MAPT P10636 7/20 1.00
BRCA1 P38398 6/20 1.00
HIF1A Q16665 6/20 1.00
USP2 O75604 5/20 1.00
S100A4 P26447 5/20 1.00
MAPK1 P28482 5/20 1.00
CYP3A4 P08684 4/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 4/20 1.00
PAX8 Q06710 3/20 1.00
POLB P06746 3/20 1.00
HSP90AA1 P07900 2/20 1.00
HSP90AB1 P08238 2/20 1.00

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
Daunorubicin SCHEMBL31326687 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL142541 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL31725676 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL4445 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL4444 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL122984 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL4659664 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL2217102 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL20204237 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL29462666 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL

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-20230295313-A1 IL1RAP BINDING PROTEINS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-09-21 US disclosed
EP-3517526-B1 PYRIDINONES AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-08-19 EP disclosed
US-10111866-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-30 US disclosed
US-20180147194-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-31 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 (3 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-20180147194-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB TOP2A 4691/4885MEN1 188/4885THRB 3/4885
US-20230295313-A1 IL1RAP BINDING PROTEINS IL1RN, IL1R1, IL1A TOP2A 4853/4885MEN1 2163/4885THRB 1218/4885
US-10111866-B2 Compounds as rearranged during transfection (RET) inhibitors RET, FER, THRB TOP2A 4577/4885MEN1 187/4885THRB 3/4885

“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.