Daunorubicin

Daunorubicin

SCHEMBL562720

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

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 1.00
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
BRCA1 P38398 7/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
HIF1A Q16665 7/20 1.00
MAPT P10636 7/20 1.00
TDP1 Q9NUW8 6/20 1.00
MAPK1 P28482 6/20 1.00
CYP3A4 P08684 5/20 1.00
USP2 O75604 5/20 1.00
HTT P42858 5/20 1.00
CYP1A2 P05177 4/20 1.00
CHRM1 P11229 4/20 1.00
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 4/20 1.00
TP53 P04637 3/20 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 SCHEMBL6423269 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL15159339 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL319903 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL6423273 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL12864552 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL289431 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL24914323 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL18926545 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL13840952 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL22694307 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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100490850-C Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN NINGBO YINGNUO PHARMACE (CN) 2009-05-27 CN claimed
CN-1833636-A Application of biphenyl cyclooctadiene lignin in treatment of tumour medicine HU XUN (CN) 2006-09-20 CN claimed
CN-1762450-A Application of magnolia vine fruit in preparation of anti-tumor medicine or multi-medicine tolerant reversal agent HU XUN (CN) 2006-04-26 CN claimed
CN-1236758-C Slow-releasing injection contg. hydrocastor oil/medicine (for treatment) solid dispersion microparticle WANG YUWAN (CN) 2006-01-18 CN claimed
CN-1461639-A Slow-releasing injection contg. hydrocastor oil/medicine (for treatment) solid dispersion microparticle WANG YUWAN (CN) 2003-12-17 CN claimed
US-20240092902-A1 METHODS FOR TREATING CANCER OR INFECTION USING A COMBINATION OF AN ANTI-PD-1 ANTIBODY, AN ANTI-LAG3 ANTIBODY, AND AN ANTI-TIGIT ANTIBODY MERCK SHARP & DOHME LLC (US) 2024-03-21 US disclosed
US-20230092707-A1 METHODS FOR TREATING CANCER OR INFECTION USING A COMBINATION OF AN ANTI-PD-1 ANTIBODY, AN ANTI-CTLA4 ANTIBODY, AND AN ANTI-TIGIT ANTIBODY MERCK SHARP & DOHME LLC (US) 2023-03-23 US disclosed
EP-4114863-A1 METHODS FOR TREATING CANCER OR INFECTION USING A COMBINATION OF AN ANTI-PD-1 ANTIBODY, AN ANTI-CTLA4 ANTIBODY, AND AN ANTI-TIGIT ANTIBODY Merck Sharp & Dohme LLC (US) 2023-01-11 EP disclosed
EP-3946288-A1 SUBSTITUTED 5-CYCLOPROPYL-1H-PYRAZOL-3-YL-AMINE DERIVATIVES AS SELECTIVE CDK12/13 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2022-02-09 EP disclosed
US-20210363243-A1 METHODS FOR TREATING CANCER OR INFECTION USING A COMBINATION OF AN ANTI-PD-1 ANTIBODY, AN ANTI-LAG3 ANTIBODY, AND AN ANTI-TIGIT ANTIBODY MERCK SHARP & DOHME CORP. (US) 2021-11-25 US disclosed
WO-2021178611-A1 METHODS FOR TREATING CANCER OR INFECTION USING A COMBINATION OF AN ANTI-PD-1 ANTIBODY, AN ANTI-CTLA4 ANTIBODY, AND AN ANTI-TIGIT ANTIBODY MERCK SHARP & DOHME CORP. (US) 2021-09-10 WO disclosed
US-11052065-B2 Compositions and methods for treating cancer with a combination of programmed death receptor (PD-1) antibodies and a CXCR2 antagonist MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20040019200-A1 Cycloalkyl-spiro-1, 2,4,5-tetraoxacyclohexane-spiro-cholic acids and derivatives; antiprotozoa agents, bactericides and antitumor agents ARMY, UNITED STATES 2004-01-29 US disclosed
CN-1461639-A Slow-releasing injection contg. hydrocastor oil/medicine (for treatment) solid dispersion microparticle WANG YUWAN (CN) 2003-12-17 CN disclosed
WO-2003068736-A2 MIXED STEROIDAL 1,2,4,5-TETRAOXANE COMPOUNDS AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2003-08-21 WO disclosed
WO-2003069303-A2 ANTIMALARIAL AND ANTIPROLIFERATIVE PHARMACOPHORE MODELS, NOVEL TRYPTANTHRIN COMPOUNDS HAVING INCREASED SOLUBILITY, AND METHODS OF MAKING AND USING THEREOF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2003-08-21 WO disclosed
US-6063396-A POLYMER MATRIX HOUSTON BIOTECHNOLOGY INCORPORATED (US) 2000-05-16 US disclosed
US-5618553-A CONTACTING LOCALIZED REGION OF EYE WITH POLYMER IMPLANT HAVING REVERSIBLY ASSOCIATED MODULATING AGENT WHICH IS RELEASED AT RATE SUCH THAT TARGET CELLS ARE PRIMARILY AFFECTED HOUSTON BIOTECHNOLOGY INCORPORATED (US) 1997-04-08 US disclosed
US-4198480-A ANTITUMOR AGENTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1980-04-15 US disclosed
US-4147778-A BACTERICIDES, ANTITUMOR, ANTHRACYCLINE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1979-04-03 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-11052065-B2 Compositions and methods for treating cancer with a combination of programmed death receptor (PD-1) antibodies and a CXCR2 antagonist CD274, PDCD1LG2, PDCD1 TOP2A 470/4885MEN1 3505/4885THRB 1676/4885
US-20040019200-A1 Cycloalkyl-spiro-1, 2,4,5-tetraoxacyclohexane-spiro-cholic acids and derivatives; antiprotozoa agents, bactericides and antitumor agents PKD1, HCCS, POT1 TOP2A 342/4885MEN1 587/4885THRB 175/4885

“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.