SCHEMBL4953154

SCHEMBL4953154

C#CCn1c(=O)c2c(nc(C#Cc3ccoc3)n2C)n(CC)c1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ ADORA1 P30542 3/20 0.41
▸ ADORA2A P29274 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL16199465 0.84 ADORA1 (0.44) GLAADORA2BBLMADORA1ADORA2A
SCHEMBL4952185 0.83 ADORA1 (0.40) GLAADORA2BBLMADORA1ADORA2A
SCHEMBL4948213 0.83 ADORA2A (0.56) GLAADORA2BADORA1ADORA2AADORA3
SCHEMBL12233683 0.82 ADORA1 (0.39) GLAADORA2BBLMADORA1
SCHEMBL2542959 0.82 ADORA2A (0.43) ADORA2BADORA1ADORA2A
SCHEMBL12257582 0.81 ADORA2A (0.48) GLAADORA2BBLMADORA1ADORA2A
SCHEMBL2535848 0.81 ADORA2A (0.52) ADORA2BADORA1ADORA2AADORA3
SCHEMBL2542620 0.81 MAOB (0.42) ADORA2BADORA1ADORA2A
SCHEMBL4950807 0.81 PDE5A (0.42) ADORA1
SCHEMBL4945860 0.80 ADORA1 (0.42) GLAADORA2BBLMADORA1ADORA2A

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 5 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 claimed
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

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 GLA 1605/4885ADORA2B 279/4885BLM 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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