SCHEMBL4537888

SCHEMBL4537888

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRDMT1 O14717 1/20 0.64
▸ ADORA1 P30542 5/20 0.60
▸ P2RY1 P47900 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ P2RY2 P41231 3/20 0.60
▸ ADORA3 P0DMS8 2/20 0.60
▸ ADORA2A P29274 2/20 0.60
▸ ADORA2B P29275 2/20 0.60
▸ SLC29A1 Q99808 2/20 0.60
▸ SRC P12931 2/20 0.60
▸ DPP4 P27487 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ SLC28A1 O00337 1/20 0.60
▸ MAP3K7 O43318 1/20 0.60
▸ SLC28A2 O43868 1/20 0.60
▸ GAPDH P04406 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ STAT6 P42226 1/20 0.60
▸ PI4KA P42356 1/20 0.60
▸ KMT2A Q03164 1/20 0.60

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
SCHEMBL5276197 0.92 TRDMT1 (0.60) TRDMT1ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL14696730 0.91 ADORA1 (0.60) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL13269088 0.91 ADORA1 (0.62) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL62486 0.91 ADORA1 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL932846 0.91 ADORA1 (0.65) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL6907702 0.89 METTL3 (0.70) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL4541368 0.89 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL13269154 0.89 PDE2A (0.66) TRDMT1ADORA1P2RY1SMN1; SMN2P2RY2
SCHEMBL13269131 0.89 ADORA1 (0.62) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL622588 0.89 ADORA1 (0.69) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2021797-A4 COMPOSITIONS OF N-Ý2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL¨-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMA (US) 2009-07-08 — — EP disclosed
EP-2021797-A2 COMPOSITIONS OF N-Ý2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL¨-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE Vertex Pharmaceuticals, Inc. (US) 2009-02-11 — — EP disclosed
WO-2007134279-A2 COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-22 — — 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 TRDMT1 1048/4885ADORA1 2/4885P2RY1 188/4885
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ADORA2A, ADORA1, ADORA3 TRDMT1 1048/4885ADORA1 2/4885P2RY1 188/4885
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 TRDMT1 1048/4885ADORA1 2/4885P2RY1 188/4885

“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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