SCHEMBL2546553

SCHEMBL2546553

C#CCn1c(=O)c2[nH]c(C#CCCCCC)nc2n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 3/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ GLA P06280 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL2547498 0.80 ADORA2B (0.47) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL4782923 0.79 SIRT1 (0.51) ADORA2BADORA3ADORA2A
SCHEMBL2570140 0.78 ADORA2B (0.47) ADORA2BADORA3GLABLMADORA2A
SCHEMBL4636244 0.75 ADORA2B (0.49) ADORA2BADORA3GLABLMADORA2A
SCHEMBL3949936 0.75 ADORA2B (0.59) ADORA2BADORA3GLABLMADORA2A
SCHEMBL4636230 0.74 ADORA1 (0.48) ADORA2BADORA3GLABLMADORA2A
SCHEMBL4792983 0.73 ADORA2A (0.41) ADORA2BADORA3GLABLMADORA2A
SCHEMBL4636043 0.72 ADORA3 (0.48) ADORA2BADORA3GLABLMADORA2A
SCHEMBL4636557 0.72 ADORA2B (0.46) ADORA2BADORA3ADORA2A
SCHEMBL4637278 0.72 ADORA2B (0.49) ADORA2BADORA3GLABLMADORA2A

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 279/4885ADORA3 248/4885GLA 1605/4885

“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.

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