SCHEMBL4152034

SCHEMBL4152034

Nc1nc(OC2CCCC2)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 12/20 1.00
ADORA2B P29275 10/20 1.00
ADORA3 P0DMS8 2/20 0.73
ADORA1 P30542 1/20 0.71

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
SCHEMBL8115629 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4153023 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8102432 0.99 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8102444 0.99 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4145314 0.92 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4157043 0.91 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4151696 0.91 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4156738 0.91 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4152507 0.91 ADORA2A (0.84) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4152512 0.91 ADORA2A (0.84) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
CN-101072787-A Substituted adenines and the use thereof ASTRAZENECA AB (SE) 2007-11-14 CN disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 33/4885ADORA2B 46/4885ADORA3 29/4885

“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.