Dactinomycin

Dactinomycin

SCHEMBL2790145

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.Cl

nearest known ligand 0.99

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 18)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.99
GRB2 P62993 3/20 0.99
MAPT P10636 2/20 0.99
RECQL P46063 2/20 0.99
SMN1; SMN2 Q16637 2/20 0.99
ABCB11 O95342 1/20 0.99
ALDH1A1 P00352 1/20 0.99
CYP3A4 P08684 1/20 0.99
ALOX15 P16050 1/20 0.99
CASP1 P29466 1/20 0.99
HTT P42858 1/20 0.99
BLM P54132 1/20 0.99
CASP7 P55210 1/20 0.99
KMT2A Q03164 1/20 0.99
HIF1A Q16665 1/20 0.99
DDR2 Q16832 1/20 0.99
NGLY1 Q96IV0 1/20 0.99
HSD17B10 Q99714 1/20 0.99

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 SCHEMBL13659669 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL6939686 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL26186613 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL3845 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL19770615 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL6152 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL27304406 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL3844 0.99 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28168861 0.99 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ABCB11
Dactinomycin SCHEMBL28161860 0.98 GRB2 (0.98) GRB2MAPTRECQLSMN1; SMN2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11872313-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-01-16 US disclosed
US-11141379-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof WASHINGTON UNIVERSITY (US) 2021-10-12 US disclosed
US-20210077400-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-03-18 US disclosed
US-20190192436-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-06-27 US disclosed
US-10259884-B2 Antibodies to GRP78 WASHINGTON UNIVERSITY (US) 2019-04-16 US disclosed
US-10201500-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof WASHINGTON UNIVERSITY (US) 2019-02-12 US disclosed
US-20170298142-A1 ANTIBODIES TO TIP-1 AND GRP78 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-19 US disclosed
US-9738725-B2 Antibodies to TIP-1 WASHINGTON UNIVERSITY (US) 2017-08-22 US disclosed
US-9498439-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof WASHINGTON UNIVERSITY (US) 2016-11-22 US disclosed
US-9468607-B2 Ligand directed toroidal nanoparticles for therapy and diagnostic imaging WASHINGTON UNIVERSITY (US) 2016-10-18 US disclosed
US-20160279060-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-29 US disclosed
US-9446150-B2 Particles for imaging WASHINGTON UNIVERSITY (US) 2016-09-20 US disclosed
US-20140316186-A1 ANTIBODIES TO TIP-1 AND GRP78 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-23 US disclosed
US-20130122100-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF THE WASHINGTON UNIVERSITY (US) 2013-05-16 US disclosed
WO-2013019730-A1 ANTIBODIES TO TIP-1 AND GRP78 THE WASHINGTON UNIVERSITY (US) 2013-02-07 WO disclosed
US-20100297019-A1 PARTICLES FOR IMAGING THE WASHINGTON UNIVERSITY (US) 2010-11-25 US disclosed
US-20100297007-A1 LIGAND DIRECTED TOROIDAL NANOPARTICLES FOR THERAPY AND DIAGNOSTIC IMAGING THE WASHINGTON UNIVERSITY (US) 2010-11-25 US disclosed
WO-2009117688-A2 METHODS FOR PRODUCING MICROBUBBLES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2009-09-24 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 (7 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-20160279060-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF FAP, PNP, TYMP PTGS1 1096/4885GRB2 4834/4885MAPT 1745/4885
US-20130122100-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF PHOSPHO1, PTDSS1, SMPD3 PTGS1 1169/4885GRB2 3481/4885MAPT 2188/4885
US-20190192436-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF FAP, PNP, TYMP PTGS1 1096/4885GRB2 4834/4885MAPT 1745/4885
US-11141379-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof FAP, PNP, TYMP PTGS1 1096/4885GRB2 4834/4885MAPT 1745/4885
US-20210077400-A1 PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF FAP, PNP, TYMP PTGS1 1096/4885GRB2 4834/4885MAPT 1745/4885
US-10201500-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof FAP, PNP, TYMP PTGS1 1096/4885GRB2 4834/4885MAPT 1745/4885
US-11872313-B2 Prodrug compositions, prodrug nanoparticles, and methods of use thereof FAP, PNP, TYMP PTGS1 1096/4885GRB2 4834/4885MAPT 1745/4885

“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.