Acefylline

Acefylline

SCHEMBL356114

C1CNCCN1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.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 SCHEMBL5493561 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 323 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118948925-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-11-15 CN claimed
US-20200182859-A1 HDAC1/2 ACTIVATOR FOR PROMOTING AND/OR ACCELERATING MYELINATION AND/OR REMYELINATION UNIVERSITE DE FRIBOURG (CH) 2020-06-11 US claimed
EP-3634421-A1 HDAC1/2 ACTIVATOR FOR PROMOTING AND/OR ACCELERATING MYELINATION AND/OR REMYELINATION Université de Fribourg (CH) 2020-04-15 EP claimed
WO-2019203511-A9 PHARMACEUTICAL COMPOSITION COMPRISING DEOXYCHOLIC ACID 주식회사 펜믹스 2019-12-26 WO claimed
WO-2019203511-A1 PHARMACEUTICAL COMPOSITION COMPRISING DEOXYCHOLIC ACID 주식회사 펜믹스 2019-10-24 WO claimed
US-20190314388-A1 PHARMACEUTICAL COMPOSITION CONTAINING DEOXYCHOLIC ACID PENMIX LTD. (KR) 2019-10-17 US claimed
WO-2018224650-A1 HDAC1/2 ACTIVATOR FOR PROMOTING AND/OR ACCELERATING MYELINATION AND/OR REMYELINATION UNIVERSITE DE FRIBOURG (CH) 2018-12-13 WO claimed
EP-3412294-A1 HDAC1/2 ACTIVATOR FOR PROMOTING AND/OR ACCELERATING MYELINATION AND/OR REMYELINATION Universite De Fribourg (CH) 2018-12-12 EP claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
EP-2571499-A1 PHARMACEUTICAL COMPOSITION COMPRISING N- ACETYLCYSTEINE AND A XANTHINE Bilgic, Mahmut (TR) 2013-03-27 EP claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO claimed
EP-0480934-B1 A SLIMMING PHARMACEUTICAL COMPOSITION NYCOMED DAK AS (DK) 1994-06-29 EP claimed
EP-0270305-B1 SPHEROIDS Euroceltique S.A. (LU) 1993-01-20 EP claimed
EP-0480934-A1 A SLIMMING PHARMACEUTICAL COMPOSITION. DAK LAB AS (DK) 1992-04-22 EP claimed
US-5091189-A Tablet contains 3-alkylxanthine, hydrophilic or hydrophobic polymers, and wax from the group consists of polyalkylene glycol EUROCELTIQUE S.A. (LU) 1992-02-25 US claimed
WO-1991000730-A1 A SLIMMING PHARMACEUTICAL COMPOSITION DAK-LABORATORIET A/S (DK) 1991-01-24 WO claimed
US-4844910-A CONTROLLED RELEASE OF THEOPHYLLINE DERIVATIVES EUROCELTIQUE, S.A. (LU) 1989-07-04 US claimed
EP-0270305-A2 Spheroids Euroceltique S.A. (LU) 1988-06-08 EP claimed