SCHEMBL2542741

SCHEMBL2542741

C#CCn1c(=O)c2c(nc(C#Cc3ccc(C)cc3)n2C)n(C)c1=O

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 3/20 0.50
▸ GLA P06280 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ MAOB P27338 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL2541195 0.90 ADORA2A (0.52) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2540260 0.88 ADORA1 (0.55) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2542730 0.87 ADORA2B (0.46) ADORA2BGLABLMADORA2AADORA1
SCHEMBL12233685 0.85 ADORA2B (0.46) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2537019 0.84 ADORA1 (0.48) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2539847 0.82 MAOB (0.46) ADORA2BGLABLMMAOB
SCHEMBL2545132 0.82 ADORA2B (0.47) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2541348 0.82 HSD17B13 (0.51) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2534038 0.82 ADORA2A (0.47) ADORA2BGLABLMADORA2AADORA1
SCHEMBL2535100 0.82 ADORA2B (0.55) ADORA2BGLABLMADORA2AMAOB

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
US-20080221134-A1 8-ALKYNYLXANTHINES AND DERIVATIVES RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAET BONN (DE) 2008-09-11 — — US claimed
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-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
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.

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