Acadesine

Acadesine

SCHEMBL2631614

NC(=O)c1ncn([C@@H]2O[C@H](CO)C(O)C2O)c1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PRKAA1PRKAA2PRKAB1PRKAB2PRKAG1PRKAG2PRKAG3

The experimentally established mechanism targets of Acadesine. 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
KDM4E B2RXH2 2/20 1.00
TP53 P04637 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
MAPT P10636 1/20 1.00
SMN1; SMN2 Q16637 4/20 0.77
ALDH1A1 P00352 3/20 0.77
HTT P42858 2/20 0.77
BLM P54132 2/20 0.77
TSHR P16473 2/20 0.77
GAA P10253 1/20 0.77
FBP1 P09467 1/20 0.69
ATIC P31939 1/20 0.69
LMNA P02545 5/20 0.60
THPO P40225 2/20 0.60
PMP22 Q01453 2/20 0.60
GMNN O75496 1/20 0.60
NFKB1 P19838 1/20 0.60
DNMT1 P26358 1/20 0.60
MTOR P42345 1/20 0.60
RAB9A P51151 1/20 0.60

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
Acadesine SCHEMBL219336 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL7141001 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL28745421 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL2619704 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL2394079 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL10017743 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL6113798 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL5053863 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL14520658 1.00 KDM4E (1.00) KDM4ETP53TDP1MAPTSMN1; SMN2
Acadesine SCHEMBL8722270 0.95 KDM4E (0.91) KDM4ETP53TDP1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10842806-B2 Methods for treating ocular inflammatory disorders MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2020-11-24 US disclosed
US-20180036329-A1 METHODS FOR TREATING OCULAR INFLAMMATORY DISORDERS MASSACHUSETTS EYE AND EAR INFIRMARY 2018-02-08 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-20120094948-A1 Analogous Compounds of 6-Thioguanosine Triphosphate, their use in Medical Fields and Processes for their Preparation GIULIANI INTERNATIONAL LIMITED 2012-04-19 US disclosed
US-8114986-B2 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2012-02-14 US disclosed
US-8093380-B2 Viricides, antitumor agents, anticancer agents PHARMASSET, INC. (US) 2012-01-10 US disclosed
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation NOGRA PHARMA LIMITED (IE) 2010-12-23 US disclosed
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation GIULIANI INTERNATIONAL LIMITED (IE) 2009-10-15 US disclosed
WO-2009019600-A2 MODULATION OF ENDOGENOUS AMPK LEVELS FOR THE TREATMENT OF OBESITY DR. REDDY'S LABORATORIES LTD. (US) 2009-02-12 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 (6 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK KDM4E 4586/4885TP53 395/4885TDP1 1258/4885
US-10842806-B2 Methods for treating ocular inflammatory disorders ATF4, AMPD1, ATF1 KDM4E 3330/4885TP53 4573/4885TDP1 3280/4885
US-20090258837-A1 Analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, MTAP, G6PD KDM4E 1421/4885TP53 2809/4885TDP1 2789/4885
US-20180036329-A1 METHODS FOR TREATING OCULAR INFLAMMATORY DISORDERS ATF4, AMPD1, ATF1 KDM4E 3330/4885TP53 4573/4885TDP1 3280/4885
US-20120094948-A1 Analogous Compounds of 6-Thioguanosine Triphosphate, their use in Medical Fields and Processes for their Preparation TPMT, MTAP, G6PD KDM4E 1421/4885TP53 2809/4885TDP1 2789/4885
US-20100323980-A9 Improvements to analogous compounds of 6-thioguanosine triphosphate, their use in medical fields and processes for their preparation TPMT, G6PD, MTAP KDM4E 1255/4885TP53 3205/4885TDP1 2876/4885

“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.