Dactinomycin

Dactinomycin

SCHEMBL4018041

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.Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2A

The experimentally established mechanism targets of Dactinomycin. 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 1/20 0.47
RECQL P46063 5/20 0.62
MAPT P10636 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
CYP3A4 P08684 4/20 0.62
BLM P54132 4/20 0.62
KMT2A Q03164 4/20 0.62
GRB2 P62993 3/20 0.62
HIF1A Q16665 3/20 0.62
ALDH1A1 P00352 2/20 0.62
HTT P42858 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ABCB11 O95342 1/20 0.62
ALOX15 P16050 1/20 0.62
PTGS1 P23219 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
DDR2 Q16832 1/20 0.62
NGLY1 Q96IV0 1/20 0.62
MEN1 O00255 3/20 0.47

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
Dactinomycin SCHEMBL28208187 1.00 RECQL (0.62) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL27881861 1.00 RECQL (0.62) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28142059 0.96 GRB2 (0.61) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL987923 0.96 GRB2 (0.61) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28238143 0.93 RECQL (0.54) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28212929 0.88 MAPT (0.48) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28182665 0.87 RECQL (0.47) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL28243094 0.83 MAPT (0.43) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL3844 0.79 GRB2 (1.00) RECQLMAPTSMN1; SMN2CYP3A4BLM
Dactinomycin SCHEMBL6152 0.79 GRB2 (1.00) RECQLMAPTSMN1; SMN2CYP3A4BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012158197-A2 COMPOUNDS USEFUL AS AKT/PKB MODULATORS AND USES THEREOF LYNDOR BIOSCIENCES L.L.C. (US) 2012-11-22 WO claimed
US-20090028855-A1 INHIBITORS OF AKT/PKB WITH ANTI-TUMOR ACTIVITY UNIVERSITY OF SOUTH FLORIDA (US) 2009-01-29 US claimed
CN-117980327-A Specific coupling of antibodies 杭州多禧生物科技有限公司 2024-05-03 CN disclosed
CN-114555123-B Combination therapy for the treatment of myelodysplastic syndrome and acute myeloid leukemia 四十七公司 2024-04-02 CN disclosed
WO-2012158197-A2 COMPOUNDS USEFUL AS AKT/PKB MODULATORS AND USES THEREOF LYNDOR BIOSCIENCES L.L.C. (US) 2012-11-22 WO disclosed
WO-2009093012-A1 INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS (R & D) LTD (GB) 2009-07-30 WO disclosed
EP-1742920-A2 NAPHTHALIMIDE DERIVATIVES FOR THE TREATMENT OF CANCER Unibioscreen S.A. (BE) 2007-01-17 EP disclosed
WO-2005105753-A2 NAPHTHALIMIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIBIOSCREEN S.A. (BE) 2005-11-10 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 (1 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-20090028855-A1 INHIBITORS OF AKT/PKB WITH ANTI-TUMOR ACTIVITY AKT1, AKT2, MTOR TOP2A 3280/4885RECQL 3978/4885MAPT 4404/4885

“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.