SCHEMBL2547503

SCHEMBL2547503

C#CCn1c(=O)[nH]c2nc(CCCCC)n(C#C)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.41
ADORA3 P0DMS8 4/20 0.41
TLR7 Q9NYK1 1/20 0.35
USP2 O75604 3/20 0.33
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
RGS12 O14924 1/20 0.32

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
SCHEMBL2546554 0.77 ADORA2B (0.48) ADORA2BADORA3ADORA2ABLM
SCHEMBL12152136 0.69 PDE4A (0.40) ADORA2BADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL2547498 0.67 ADORA2B (0.47) ADORA2BADORA3PDE4AADORA2APDE4B
SCHEMBL14142760 0.64 ADORA2B (0.57) ADORA2BADORA3PDE4AADORA2APDE4B
SCHEMBL9853394 0.64 ADORA2B (0.45) ADORA2BADORA3USP2POLBMEN1
SCHEMBL4445212 0.63 KDM4E (0.51) ADORA2BADORA3MEN1KMT2AHPGD
SCHEMBL2535840 0.61 ADORA2B (0.42) ADORA2BADORA3ADORA2ABLM
SCHEMBL23202181 0.61 ADORA3 (0.43) ADORA2BADORA3MAPTALDH1A1
SCHEMBL13354857 0.60 AGTR1 (0.37) ADORA2BADORA3TLR7PDE4APDE4B
SCHEMBL5867203 0.60 TSHR (0.48) USP2POLBMEN1KMT2AKEAP1

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
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
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
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 279/4885ADORA3 248/4885TLR7 1592/4885

“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.