SCHEMBL2539375

SCHEMBL2539375

C#CCn1c(=O)c2[nH]c(C=Cc3cccc(OC)c3)nc2n(CCCO)c1=O

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.70
▸ ADORA2B P29275 1/20 0.70
▸ ADORA1 P30542 1/20 0.70
▸ GLA P06280 1/20 0.56

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
SCHEMBL29448500 1.00 ADORA2A (0.70) ADORA2AADORA2BADORA1GLA
SCHEMBL2539373 1.00 ADORA2A (0.70) ADORA2AADORA2BADORA1GLA
SCHEMBL24305379 0.90 ADORA2A (0.57) ADORA2AADORA2BADORA1GLA
SCHEMBL29499431 0.90 GLA (0.58) ADORA2AADORA2BADORA1GLA
SCHEMBL24304503 0.90 GLA (0.58) ADORA2AADORA2BADORA1GLA
SCHEMBL27123775 0.90 GLA (0.58) ADORA2AADORA2BADORA1GLA
SCHEMBL26979963 0.89 GLA (0.72) ADORA2AADORA2BADORA1GLA
SCHEMBL27125885 0.89 GLA (0.72) ADORA2AADORA2BADORA1GLA
SCHEMBL4456982 0.89 ADORA2A (0.58) ADORA2AADORA2BADORA1GLA
SCHEMBL4453203 0.87 ADORA2A (0.56) ADORA2AADORA2BADORA1

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 ADORA2A 115/4885ADORA2B 279/4885ADORA1 314/4885

“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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