SCHEMBL2535100

SCHEMBL2535100

C#CCn1c(=O)c2c(nc(C#Cc3cccc(Br)c3)n2C)n(C)c1=O

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.55
MAOB P27338 1/20 0.55
ADORA2A P29274 1/20 0.55
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HIF1A Q16665 1/20 0.48
GLA P06280 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL2542730 0.89 ADORA2B (0.46) ADORA2BMAOBADORA2AGLABLM
SCHEMBL2539847 0.88 MAOB (0.46) ADORA2BMAOBGLABLM
SCHEMBL2545132 0.88 ADORA2B (0.47) ADORA2BMAOBADORA2AGLABLM
SCHEMBL2534038 0.88 ADORA2A (0.47) ADORA2BMAOBADORA2AGLABLM
SCHEMBL2541348 0.88 HSD17B13 (0.51) ADORA2BMAOBADORA2AGLABLM
SCHEMBL2541195 0.87 ADORA2A (0.52) ADORA2BMAOBADORA2AGLABLM
SCHEMBL2537627 0.86 ADORA1 (0.57) ADORA2BMAOBADORA2AGLA
SCHEMBL4637270 0.85 MAOB (0.46) ADORA2BMAOBGLABLM
SCHEMBL2536366 0.84 ADORA1 (0.47) ADORA2BMAOBADORA2AGLABLM
SCHEMBL2541035 0.84 ADORA1 (0.47) ADORA2BMAOBADORA2A

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 10 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-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 ADORA2B 279/4885MAOB 54/4885ADORA2A 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.