SCHEMBL2542700

SCHEMBL2542700

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.49
▸ ADORA2B P29275 3/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ ADORA3 P0DMS8 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GLA P06280 1/20 0.41

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
SCHEMBL4636230 0.90 ADORA1 (0.48) ADORA1ADORA2BADORA2AMAOBADORA3
SCHEMBL4781188 0.90 ADORA2B (0.45) ADORA1ADORA2BADORA2AMAOBADORA3
SCHEMBL4637278 0.87 ADORA2B (0.49) ADORA2BADORA2AMAOBADORA3GLA
SCHEMBL4636557 0.87 ADORA2B (0.46) ADORA1ADORA2BADORA2AADORA3
SCHEMBL4636043 0.83 ADORA3 (0.48) ADORA1ADORA2BADORA2AMAOBADORA3
SCHEMBL8183967 0.82 ADORA1 (0.55) ADORA1ADORA2BADORA2A
SCHEMBL2537627 0.81 ADORA1 (0.57) ADORA1ADORA2BADORA2AMAOBGLA
SCHEMBL2548492 0.81 ADORA1 (0.57) ADORA1ADORA2BADORA2AMAOBADORA3
SCHEMBL4456982 0.79 ADORA2A (0.58) ADORA1ADORA2BADORA2AGLA
SCHEMBL4635978 0.79 ADORA1 (0.55) ADORA1ADORA2BADORA2AMAOBADORA3

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 9 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
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
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
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 ADORA1 314/4885ADORA2B 279/4885ADORA2A 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.

Send feedback