SCHEMBL5492996

SCHEMBL5492996

Nc1nc(OCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 1.00
▸ ADORA2B P29275 10/20 1.00
▸ ADORA3 P0DMS8 5/20 0.82
▸ ADORA1 P30542 5/20 0.82

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
SCHEMBL5493006 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115549 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL30862346 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2291656 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8110844 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL31060329 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8110831 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115461 0.89 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8115464 0.89 ADORA2A (0.81) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8101778 0.89 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1

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
CN-101072787-A Substituted adenines and the use thereof ASTRAZENECA AB (SE) 2007-11-14 — — CN disclosed
EP-1446413-A4 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES KING PHARMACEUTICALS RES & DEV (US) 2007-10-17 — — EP disclosed
US-6951932-B2 Synthesis of 2-aralkoxyadenosines and 2-alkoxyadenosines KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2005-10-04 — — US disclosed
EP-1446413-A1 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES King Pharmaceuticals Research and Development Inc. (US) 2004-08-18 — — EP disclosed
US-20030199686-A1 Synthesis of 2-aralkoxyadenosines and 2-alkoxyadenosines KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-10-23 — — US disclosed
WO-2003035662-A1 SYNTHESIS OF 2-ARALKOXY ADENOSINES AND 2-ALKOXYADENOSINES KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2003-05-01 — — WO disclosed
EP-0515514-B1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS DISCOVERY THERAPEUTICS INC (US) 2000-08-30 — — EP disclosed
US-RE36494-E 2-aralkoxy and 2-alkoxy adenosine derivatives as coronary vasodilators and antihypertensive agents DISCOVERY THERAPEUTICS, INC. (US) 2000-01-11 — — US disclosed
EP-0515514-A4 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS — 1993-01-13 — — EP disclosed
EP-0515514-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, Inc. (US) 1992-12-02 — — EP disclosed
US-5140015-A Racemic mixture for inducing an adenosine response in humans and animals WHITBY RESEARCH, INC. (US) 1992-08-18 — — US disclosed
WO-1991013082-A1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS WHITBY RESEARCH, INC. (US) 1991-09-05 — — 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-20030199686-A1 Synthesis of 2-aralkoxyadenosines and 2-alkoxyadenosines AMPD2, ADAR, ADA ADORA2A 16/4885ADORA2B 58/4885ADORA3 36/4885

“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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