SCHEMBL2546554

SCHEMBL2546554

C#CCn1c(=O)c2c(nc(CCCCC)n2C#C)n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.48
GLA P06280 1/20 0.48
BLM P54132 1/20 0.48
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
ADORA3 P0DMS8 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4782924 0.81 ADORA1 (0.51) ADORA2BADORA2AADORA1
SCHEMBL25200999 0.74 ADORA2B (0.56) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2570140 0.74 ADORA2B (0.47) ADORA2BGLABLMADORA2AADORA1
SCHEMBL15075374 0.71 ALOX15 (0.49) ADORA2AADORA1
SCHEMBL18990264 0.71 ADORA2B (0.58) ADORA2BGLABLMADORA2AADORA1
SCHEMBL10522012 0.70 LMNA (0.52) ADORA2BLMNANPSR1
SCHEMBL4636760 0.68 ADORA2B (0.54) ADORA2BGLABLMADORA2AADORA1
SCHEMBL21602432 0.68 ADORA2B (0.54) ADORA2BGLABLMADORA2AADORA1
SCHEMBL4670663 0.68 ADORA2B (0.60) ADORA2BGLABLMADORA2AADORA3
SCHEMBL683896 0.67 TSHR (0.56) GLALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097415-B1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS UNIV BONN (DE) 2014-10-29 EP disclosed
US-8044061-B2 Parkinson's disease, catalepsy, dystonia, dyskinetic syndrome, restless legs syndrome, migraine, pain, dementia, neurodegenerative disorders, alcohol withdrawal and/or ischemic conditions such as e.g. stroke or cardiac ischemia. UCB PHARMA GMBH (DE) 2011-10-25 US disclosed
EP-2097415-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS Schwarz Pharma AG (DE) 2009-09-09 EP disclosed
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) 2008-09-11 US disclosed
WO-2008077557-A1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS SCHWARZ PHARMA AG (DE) 2008-07-03 WO disclosed
EP-1939197-A1 8-ethinylxanthine derivatives as selective A2A receptor antagonists SCHWARZ PHARMA AG (DE) 2008-07-02 EP 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 (1 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-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES SLC6A3, PARK7, SLC18A2 ADORA2B 279/4885GLA 1605/4885BLM 4001/4885

“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.