Acefylline

Acefylline

SCHEMBL5493561

C1CNCCN1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Acefylline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.85
SMN1; SMN2 Q16637 2/20 0.63
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
LMNA P02545 2/20 0.59
RXFP1 Q9HBX9 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.55

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
Acefylline SCHEMBL356114 1.00 ADORA2B (0.85) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
Acefylline SCHEMBL18191994 0.92 ADORA2B (1.00) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
Acefylline SCHEMBL308514 0.92 ADORA2B (1.00) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
Acefylline SCHEMBL8402147 0.91 ADORA2B (0.97) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
Acefylline SCHEMBL1173152 0.87 ADORA2B (0.89) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
Acefylline SCHEMBL17204841 0.84 ADORA2B (0.84) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
Acefylline SCHEMBL8976498 0.84 ADORA2B (0.66) ADORA2BSMN1; SMN2KMT2AMEN1RXFP1
SCHEMBL17163939 0.81 ADORA2B (0.78) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11531219 0.81 ADORA2B (0.78) ADORA2BSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL18166629 0.80 RXFP1 (0.80) ADORA2BSMN1; SMN2KMT2AMEN1LMNA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021360-A1 Compositions, formulations and kit with anti-sense oligonucleotide and anti-inflammatory steroid and/or obiquinone for treatment of respiratory and lung disesase EPIGENESIS PHARMACEUTICALS, LLC 2007-01-25 US claimed
US-20040049022-A1 Composition & methods for treatment and screening NYCE JONATHAN W (US) 2004-03-11 US claimed
WO-2004011613-A2 COMPOSITION & METHODS FOR TREATMENT AND SCREENING EPIGENESIS PHARMACEUTICALS, INC. (US) 2004-02-05 WO claimed
JP-2003517428-A 2003-05-27 JP claimed
US-20030087845-A1 COMPOSITION, FORMULATIONS & METHOD FOR PREVENTION & TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED WITH BRONCHOCONSTRICTION, ALLERGY(IES) & INFLAMMATION EPIGENESIS PHARMACEUTICALS, INC. 2003-05-08 US claimed
WO-2002085309-A2 COMPOSITION, FORMULATIONS & KITS FOR TREATMENT OF RESPIRATORY & LUNG DISEASE WITH ANTI-SENSE OLIGONUCLEOTIDES & A BRONCHODILATING AGENT EPIGENESIS PHARMACEUTICALS, INC. (US) 2002-10-31 WO claimed
EP-1011608-A4 COMPOSITION AND METHOD FOR PREVENTION AND TREATMENT OF CARDIOPULMONARY AND RENAL FAILURE OR DAMAGE ASSOCIATED WITH ISCHEMIA, ENDOTOXIN RELEASE, ARDS OR BROUGHT ABOUT BY ADMINISTRATION OF CERTAIN DRUGS EPIGENESIS PHARMACEUTICALS INC (US) 2002-05-15 EP claimed
EP-1019065-A4 MULTIPLE TARGET HYBRIDIZING NUCLEIC ACIDS, THEIR PREPARATION, COMPOSITIONS, FORMULATION, KITS AND APPLICATIONS UNIV EAST CAROLINA (US) 2002-02-20 EP claimed
EP-1168919-A2 LOW ADENOSINE ANTI-SENSE OLIGONUCLEOTIDE, COMPOSITIONS, KIT AND METHOD FOR TREATMENT OF AIRWAY DISORDERS ASSOCIATED WITH BRONCHOCONSTRICTION, LUNG INFLAMMATION, ALLERGY(IES) AND SURFACTANT DEPLETION East Carolina University (US) 2002-01-09 EP claimed
WO-2000062736-A2 LOW ADENOSINE ANTI-SENSE OLIGONUCLEOTIDE, COMPOSITIONS, KIT AND METHOD FOR TREATMENT OF AIRWAY DISORDERS ASSOCIATED WITH BRONCHOCONSTRICTION, LUNG INFLAMMATION, ALLERGY(IES) AND SURFACTANT DEPLETION EAST CAROLINA UNIVERSITY (US) 2000-10-26 WO claimed
EP-1019065-A1 MULTIPLE TARGET HYBRIDIZING NUCLEIC ACIDS, THEIR PREPARATION, COMPOSITIONS, FORMULATION, KITS AND APPLICATIONS EAST CAROLINA UNIVERSITY (US) 2000-07-19 EP claimed
EP-1011608-A2 COMPOSITION AND METHOD FOR PREVENTION AND TREATMENT OF CARDIOPULMONARY AND RENAL FAILURE OR DAMAGE ASSOCIATED WITH ISCHEMIA, ENDOTOXIN RELEASE, ARDS OR BROUGHT ABOUT BY ADMINISTRATION OF CERTAIN DRUGS Epigenesis Pharmaceuticals, Inc. (US) 2000-06-28 EP claimed
WO-1999063938-A9 COMPOSITION AND METHOD FOR PREVENTION AND TREATMENT OF CARDIOPULMONARY AND RENAL FAILURE OR DAMAGE ASSOCIATED WITH ISCHEMIA, ENDOTOXIN RELEASE, ARDS OR BROUGHT ABOUT BY ADMINISTRATION OF CERTAIN DRUGS EPIGENESIS PHARMACEUTICALS INC (US) 2000-03-02 WO claimed
WO-1999063938-A2 COMPOSITION AND METHOD FOR PREVENTION AND TREATMENT OF CARDIOPULMONARY AND RENAL FAILURE OR DAMAGE ASSOCIATED WITH ISCHEMIA, ENDOTOXIN RELEASE, ARDS OR BROUGHT ABOUT BY ADMINISTRATION OF CERTAIN DRUGS EPIGENESIS PHARMACEUTICALS, INC. (US) 1999-12-16 WO claimed
WO-1999013886-B1 MULTIPLE TARGET HYBRIDIZING NUCLEIC ACIDS, THEIR PREPARATION, COMPOSITIONS, FORMULATION, KITS AND APPLICATIONS UNIV EAST CAROLINA (US) 1999-04-22 WO claimed
WO-1999013886-A1 MULTIPLE TARGET HYBRIDIZING NUCLEIC ACIDS, THEIR PREPARATION, COMPOSITIONS, FORMULATION, KITS AND APPLICATIONS EAST CAROLINA UNIVERSITY (US) 1999-03-25 WO claimed
US-20070021360-A1 Compositions, formulations and kit with anti-sense oligonucleotide and anti-inflammatory steroid and/or obiquinone for treatment of respiratory and lung disesase EPIGENESIS PHARMACEUTICALS, LLC 2007-01-25 US disclosed
US-7034007-B1 Low adenosine anti-sense oligonucleotide, compositions, kit & method for treatment of airway disorders associated with bronchoconstriction, lung inflammation, allergy(ies) & surfactant depletion EAST CAROLINA UNIVERSITY (US) 2006-04-25 US disclosed
WO-1999063938-A2 COMPOSITION AND METHOD FOR PREVENTION AND TREATMENT OF CARDIOPULMONARY AND RENAL FAILURE OR DAMAGE ASSOCIATED WITH ISCHEMIA, ENDOTOXIN RELEASE, ARDS OR BROUGHT ABOUT BY ADMINISTRATION OF CERTAIN DRUGS EPIGENESIS PHARMACEUTICALS, INC. (US) 1999-12-16 WO disclosed
WO-1999013886-A1 MULTIPLE TARGET HYBRIDIZING NUCLEIC ACIDS, THEIR PREPARATION, COMPOSITIONS, FORMULATION, KITS AND APPLICATIONS EAST CAROLINA UNIVERSITY (US) 1999-03-25 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-20030087845-A1 COMPOSITION, FORMULATIONS & METHOD FOR PREVENTION & TREATMENT OF DISEASES AND CONDITIONS ASSOCIATED WITH BRONCHOCONSTRICTION, ALLERGY(IES) & INFLAMMATION ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885SMN1; SMN2 1703/4885KMT2A 3396/4885
US-20070021360-A1 Compositions, formulations and kit with anti-sense oligonucleotide and anti-inflammatory steroid and/or obiquinone for treatment of respiratory and lung disesase RECQL, GSS, DDX17 ADORA2B 15/4885SMN1; SMN2 3963/4885KMT2A 4297/4885

“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.