SCHEMBL4540194

SCHEMBL4540194

COc1ccc(C[C@@]2(n3cnc4c(N)ncnc43)O[C@H](CO)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC28A2 O43868 2/20 0.49
PI4KA P42356 3/20 0.47
PI4K2B Q8TCG2 3/20 0.47
PI4K2A Q9BTU6 3/20 0.47
PI4KB Q9UBF8 3/20 0.47
ADORA2A P29274 4/20 0.46
ADORA3 P0DMS8 3/20 0.46
GMPS P49915 1/20 0.46
ADORA2B P29275 2/20 0.44
SLC29A1 Q99808 2/20 0.44
NSD3 Q9BZ95 1/20 0.44
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
SLC28A1 O00337 1/20 0.43
MAP3K7 O43318 1/20 0.43
GAPDH P04406 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA1 P30542 1/20 0.43
STAT6 P42226 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL14696729 0.91 ADORA3 (0.46) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL13269086 0.90 ADORA3 (0.48) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL932845 0.89 ADORA3 (0.49) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL27765322 0.89 ADORA3 (0.48) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL13269151 0.89 ADORA2A (0.48) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL62485 0.89 ADORA3 (0.48) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL13268645 0.88 SLC29A1 (0.46) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL13268692 0.88 ADORA2A (0.46) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL13269127 0.88 ADORA3 (0.48) SLC28A2PI4KAPI4K2BPI4K2API4KB
SCHEMBL4541363 0.88 ADORA3 (0.48) SLC28A2PI4KAPI4K2BPI4K2API4KB

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
CN-106377540-B Bifunctional compounds for the prevention and treatment of neurodegenerative diseases 中央研究院 2019-08-16 CN disclosed
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (TW) 2019-07-09 US disclosed
EP-2498774-B1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2017-10-11 EP disclosed
CN-106377540-A Bifunctional compounds binding to adenosine A2A receptors and adenosine transporters for the prevention and treatment of neurodegenerative diseases 中央研究院 2017-02-08 CN disclosed
CN-102740849-B Bifunctional compounds binding to adenosine A2A receptors and adenosine transporters for the prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (CN) 2016-11-30 CN disclosed
US-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2015-12-31 US disclosed
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2012-11-22 US disclosed
CN-102740849-A Binding to adenosine A2ABifunctional compounds of receptor and adenosine transporter for preventing and treating neurodegenerative diseases ACADEMIA SINICA 2012-10-17 CN disclosed
EP-2498774-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES Academia Sinica (TW) 2012-09-19 EP disclosed
WO-2012064340-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2012-05-18 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 (3 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-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 SLC28A2 11/4885PI4KA 2167/4885PI4K2B 2225/4885
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ADORA2A, ADORA1, ADORA3 SLC28A2 11/4885PI4KA 2167/4885PI4K2B 2225/4885
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 SLC28A2 11/4885PI4KA 2167/4885PI4K2B 2225/4885

“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.