Daunorubicin

Daunorubicin

SCHEMBL3704062

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

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 SCHEMBL319903 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL18926545 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL12863969 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL16923810 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL10079611 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL24914323 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL5941450 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL562720 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL22694307 1.00 MEN1 (1.00) MEN1THRBKMT2ABLMRECQL
Daunorubicin SCHEMBL6423269 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162934-A1 COMPOSITIONS AND METHODS RELATING TO INHIBITING CANCER CELL GROWTH AND/OR PROLIFERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-14 — — US disclosed
US-9745314-B2 MDM2 inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-08-29 — — US disclosed
US-9618513-B2 Compositions and methods for detecting and treating colorectal cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-04-11 — — US disclosed
US-20150299211-A1 MDM2 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-10-22 — — US disclosed
US-20150212088-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING COLORECTAL CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-30 — — US disclosed
US-8680132-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-03-25 — — US disclosed
US-8518984-B2 Spiro-oxindole MDM2 antagonists THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-08-27 — — US disclosed
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-05-17 — — US disclosed
US-20090274773-A1 ANTIPROLIFERATIVE COMBINATION COMPRISING CYC-682 AND A CYTOTOXIC AGENT CYCLACEL LIMITED (GB) 2009-11-05 — — US disclosed
EP-1945265-A1 ANTIPROLIFERATIVE COMBINATION COMPRISING CYC-682 AND A CYTOTOXIC AGENT Cyclacel Limited (GB) 2008-07-23 — — EP disclosed
WO-2007054731-A1 ANTIPROLIFERATIVE COMBINATION COMPRISING CYC-682 AND A CYTOTOXIC AGENT CYCLACEL LIMITED (GB) 2007-05-18 — — WO disclosed
US-20050222054-A1 Combination comprising a CDK inhibitor and doxorubicin CYCLACEL LIMITED (GB) 2005-10-06 — — US disclosed
EP-1487495-A1 COMBINATION COMPRISING A CDK INHIBITOR AND DOXORUBICIN Cyclacel Limited (GB) 2004-12-22 — — EP disclosed
WO-2003082337-A1 COMBINATION COMPRISING A CDK INHIBITOR AND DOXORUBICIN CYCLACEL LIMITED (GB) 2003-10-09 — — 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 (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-20150299211-A1 MDM2 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME TP53, MDM2, TP53BP1 TOP2A 246/4885MEN1 2901/4885THRB 2851/4885
US-20120122947-A1 SPIRO-OXINDOLE MDM2 ANTAGONISTS TP53, MDM2, TP53BP1 TOP2A 139/4885MEN1 2954/4885THRB 795/4885
US-20090274773-A1 ANTIPROLIFERATIVE COMBINATION COMPRISING CYC-682 AND A CYTOTOXIC AGENT CCNI, CCNA2, CPT2 TOP2A 8/4885MEN1 3032/4885THRB 4268/4885

“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.

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