SCHEMBL2535840

SCHEMBL2535840

C#CCn1c(=O)[nH]c2nc(C#Cc3ccccc3)n(C)c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.42
ADORA3 P0DMS8 4/20 0.42
ADORA2A P29274 4/20 0.39
ADORA1 P30542 3/20 0.39
MAOB P27338 1/20 0.39
GLA P06280 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL2537944 0.86 ADORA1 (0.44) ADORA2BADORA3ADORA2AADORA1MAOB
SCHEMBL16199464 0.84 ADORA2B (0.38) ADORA2BADORA3
SCHEMBL2541031 0.83 ADORA3 (0.38) ADORA2BADORA3ADORA2AADORA1MAOB
SCHEMBL12233347 0.81 ADORA3 (0.36) ADORA2BADORA3ADORA2AADORA1MAOB
SCHEMBL2541195 0.80 ADORA2A (0.52) ADORA2BADORA2AADORA1MAOBGLA
SCHEMBL8183295 0.78 ADORA3 (0.34) ADORA2BADORA3ADORA2AADORA1MAOB
SCHEMBL2542741 0.70 ADORA2B (0.50) ADORA2BADORA3ADORA2AADORA1MAOB
SCHEMBL12257988 0.70 ADORA2A (0.46) ADORA2BADORA3ADORA2AADORA1MAOB
SCHEMBL4794802 0.69 ADORA1 (0.47) ADORA2BADORA2AADORA1MAOB
SCHEMBL2542730 0.69 ADORA2B (0.46) ADORA2BADORA2AADORA1MAOBGLA

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 248/4885ADORA2A 115/4885

“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.