Acadesine

Acadesine

SCHEMBL7141001

NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)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 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 SCHEMBL2631614 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642206-B2 Useful in treating a wide variety of diseases including infections, infestations, neoplasms and autoimmune diseases ICN PHARMACEUTICALS, INC. 2003-11-04 US disclosed
US-6573248-B2 Therapeutic agent for use in the treatment of tumors, infections, infestation and autoimmune disease ICN PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6552183-B1 Moncyclic L-nucleosides analogs ICN PHARMACEUTICALS, INC. 2003-04-22 US disclosed
EP-1302474-A1 Monocyclic L-nucleosides, analogs and uses thereof Ribapharm, Inc. (US) 2003-04-16 EP disclosed
US-20030018186-A1 Monocyclic L-nucleosides, analogs and uses thereof BAUSCH HEALTH COMPANIES INC. (CA) 2003-01-23 US disclosed
EP-1254911-A1 Monocyclic L-nucleosides, analogs and uses thereof ICN Pharmaceuticals, Inc. (US) 2002-11-06 EP disclosed
US-20020095033-A1 Monocyclic L-nucleosides, analogs and uses thereof ICN PHARMACEUTICALS, INC. 2002-07-18 US disclosed
EP-1027359-A4 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS (US) 2001-07-25 EP disclosed
US-6130326-A Monocyclic L-Nucleosides, analogs and uses thereof ICN PHARMACEUTICALS, INC. (US) 2000-10-10 US disclosed
EP-1027359-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN Pharmaceuticals, Inc. (US) 2000-08-16 EP disclosed
WO-1998016186-A2 MONOCYCLIC L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS, INC. (US) 1998-04-23 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 (2 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-20030018186-A1 Monocyclic L-nucleosides, analogs and uses thereof PNP, TYMP, SLC29A1 KDM4E 1775/4885TP53 1942/4885TDP1 985/4885
US-20020095033-A1 Monocyclic L-nucleosides, analogs and uses thereof PNP, TYMP, SLC29A1 KDM4E 1775/4885TP53 1942/4885TDP1 985/4885

“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.