Idarubicin

Idarubicin

SCHEMBL5323218

CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.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 Idarubicin. 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 0.98
ECE1 P42892 1/20 1.00
MUS81 Q96NY9 1/20 1.00
MEN1 O00255 10/20 0.98
THRB P10828 10/20 0.98
KMT2A Q03164 10/20 0.98
BLM P54132 9/20 0.98
RECQL P46063 8/20 0.98
MAPT P10636 7/20 0.98
BRCA1 P38398 7/20 0.98
SMN1; SMN2 Q16637 7/20 0.98
HIF1A Q16665 7/20 0.98
MAPK1 P28482 6/20 0.98
HTT P42858 5/20 0.98
USP2 O75604 5/20 0.98
CYP3A4 P08684 5/20 0.98
S100A4 P26447 5/20 0.98
STAT6 P42226 5/20 0.98
NPC1 O15118 4/20 0.98
RAB9A P51151 4/20 0.98

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
Idarubicin SCHEMBL454665 1.00 ECE1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL29367370 1.00 ECE1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL4838 1.00 ECE1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL20838939 0.99 ECE1 (0.98) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL16606206 0.99 MEN1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL7029978 0.99 MEN1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL16609956 0.99 MEN1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL20541733 0.99 MEN1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL15159345 0.99 MEN1 (1.00) ECE1MUS81MEN1THRBKMT2A
Idarubicin SCHEMBL12257447 0.99 MEN1 (1.00) ECE1MUS81MEN1THRBKMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007149103-A2 VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE KAISER DANIEL E (US) 2007-12-27 WO claimed
US-20220008451-A1 FLAVIN ADENINE DINUCLEOTIDE (FAD) FOR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER BIO EVEN (FR) 2022-01-13 US disclosed
EP-3873485-A1 FLAVIN ADENINE DINUCLEOTIDE (FAD) FOR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER Bio Even (FR) 2021-09-08 EP disclosed
EP-3426249-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY The Regents of The University of Michigan (US) 2019-01-16 EP disclosed
US-20180360784-A1 X-RAY CONTRAST MEDIA COMPOSITIONS AND METHODS OF USING THE SAME TO TREAT, REDUCE OR DELAY THE ONSET OF MIGRAINE 3E THERAPEUTICS CORPORATION 2018-12-20 US disclosed
WO-2018081719-A1 SMALL MOLECULE INHIBITORS OF NEK2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-05-03 WO disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
WO-2017184751-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING HYPERTENSION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-10-26 WO disclosed
WO-2017165663-A1 BIOMARKERS FOR CANCER ASSOCIATED WITH HEDGEHOG PATHWAY ACTIVITY AND RELATED USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-09-28 WO disclosed
WO-2017155991-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-09-14 WO disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
EP-2970965-A2 DNAI FOR THE MODULATION OF GENES Pronai Therapeutics, Inc. (US) 2016-01-20 EP disclosed
US-20150290158-A1 X-RAY CONTRAST MEDIA COMPOSITIONS AND METHODS OF USING THE SAME TO TREAT, REDUCE OR DELAY THE ONSET OF CNS INFLAMMATION AND INFLAMMATION ASSOCIATED CONDITIONS LASSER ELLIOTT C (US) 2015-10-15 US disclosed
EP-2916831-A1 X-RAY CONTRAST MEDIA COMPOSITIONS AND METHODS OF USING THE SAME TO TREAT INFLAMMATION ASSOCIATED CONDITIONS 3E Therapeutics Corporation (US) 2015-09-16 EP disclosed
WO-2014144942-A2 DNAI FOR THE MODULATION OF GENES PRONAI THERAPEUTICS, INC. (US) 2014-09-18 WO disclosed
WO-2014134038-A1 COMPOSITIONS AND METHODS RELATING TO INDUCTION OF INTESTINAL STEM CELL HOMEOGENESIS AND/OR REGENERATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-04 WO disclosed
WO-2014085485-A1 METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-05 WO disclosed
WO-2014074744-A1 X-RAY CONTRAST MEDIA COMPOSITIONS AND METHODS OF USING THE SAME TO TREAT INFLAMMATION ASSOCIATED CONDITIONS LASSER ELLIOTT C (US) 2014-05-15 WO disclosed
CN-102439454-A Molecular profiling of tumors CARIS MPI INC 2012-05-02 CN disclosed
US-20050244857-A1 Death domain containing receptor 4 THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2005-11-03 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 (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-20220008451-A1 FLAVIN ADENINE DINUCLEOTIDE (FAD) FOR USE IN THE PREVENTION AND/OR TREATMENT OF CANCER NQO1, FLAD1, DPYD TOP2A 1671/4885ECE1 1417/4885MUS81 2128/4885
US-20150290158-A1 X-RAY CONTRAST MEDIA COMPOSITIONS AND METHODS OF USING THE SAME TO TREAT, REDUCE OR DELAY THE ONSET OF CNS INFLAMMATION AND INFLAMMATION ASSOCIATED CONDITIONS CHI3L2, CHI3L1, CCR1 TOP2A 1271/4885ECE1 1601/4885MUS81 3956/4885
US-20180360784-A1 X-RAY CONTRAST MEDIA COMPOSITIONS AND METHODS OF USING THE SAME TO TREAT, REDUCE OR DELAY THE ONSET OF MIGRAINE CALCA, CALCB, CALCR TOP2A 926/4885ECE1 819/4885MUS81 2793/4885

“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.