SCHEMBL8192033

SCHEMBL8192033

C#CCn1c(=O)c(N)c(N)n(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.50
ADORA3 P0DMS8 2/20 0.50
GLA P06280 1/20 0.48
BLM P54132 1/20 0.48
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
PARG Q86W56 1/20 0.36
MAOB P27338 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
SCHEMBL2538035 0.81 ADORA2B (0.39) ADORA2BADORA3GLABLMADORA2A
SCHEMBL8191260 0.78 ADORA2B (0.38) ADORA2BADORA3GLABLM
SCHEMBL27385317 0.77 ADORA2B (0.47) ADORA2BADORA3GLABLMADORA2A
SCHEMBL28438188 0.77 ADORA2A (0.45) ADORA2BGLAADORA2A
SCHEMBL1546765 0.76 PDE4A (0.46) ADORA2BGLABLMADORA2A
SCHEMBL22899000 0.74 ADORA2B (0.49) ADORA2BADORA3GLABLMADORA2A
SCHEMBL22899003 0.74 ADORA2B (0.49) ADORA2BADORA3GLABLMADORA2A
SCHEMBL27385187 0.73 ADORA2B (0.43) ADORA2BADORA3GLABLMADORA2A
SCHEMBL1546690 0.70 ALDH1A1 (0.54) PARG
SCHEMBL88218 0.69 ALDH1A1 (0.47) ADORA2BADORA3GLAADORA2AADORA1

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 4 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
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

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 248/4885GLA 1605/4885

“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.