SCHEMBL940871

SCHEMBL940871

CCCCC/C=N\Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.81
ADORA1 P30542 6/20 0.81
ADORA2B P29275 1/20 0.66

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
SCHEMBL940872 1.00 ADORA2A (0.81) ADORA2AADORA1ADORA2B
SCHEMBL940874 1.00 ADORA2A (0.81) ADORA2AADORA1ADORA2B
SCHEMBL939233 0.89 ADORA2A (0.68) ADORA2AADORA1ADORA2B
SCHEMBL939231 0.89 ADORA2A (0.68) ADORA2AADORA1ADORA2B
SCHEMBL939235 0.89 ADORA2A (0.68) ADORA2AADORA1ADORA2B
SCHEMBL938988 0.88 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL938991 0.88 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL938990 0.88 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL939603 0.87 ADORA2A (0.69) ADORA2AADORA1ADORA2B
SCHEMBL939602 0.87 ADORA2A (0.69) ADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002843-A1 METHOD OF DETECTING MYOCARDIAL DYSFUNCTION IN PATIENTS HAVING A HISTORY OF ASTHMA OR BRONCHOSPASM BARRETT RICHARD J 2011-01-06 US disclosed
EP-1841355-A1 METHOD OF DETECTING MYOCARDIAL DYSFUNCTION IN PATIENTS HAVING A HISTORY OF ASTHMA OR BRONCHOSPASM King Pharmaceuticals Research and Development Inc. (US) 2007-10-10 EP disclosed
US-20060159621-A1 Method of detecting myocardial dysfunction in patients having a history of asthma or bronchospasm KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-07-20 US disclosed
WO-2006076698-A1 METHOD OF DETECTING MYOCARDIAL DYSFUNCTION IN PATIENTS HAVING A HISTORY OF ASTHMA OR BRONCHOSPASM KING PHARMACEUTICALS RESERCH & DEVELOPMENT, INC. (US) 2006-07-20 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 (2 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-20110002843-A1 METHOD OF DETECTING MYOCARDIAL DYSFUNCTION IN PATIENTS HAVING A HISTORY OF ASTHMA OR BRONCHOSPASM TNNI3, BDKRB2, BDKRB1 ADORA2A 293/4885ADORA1 362/4885ADORA2B 60/4885
US-20060159621-A1 Method of detecting myocardial dysfunction in patients having a history of asthma or bronchospasm TNNI3, BDKRB2, BDKRB1 ADORA2A 293/4885ADORA1 362/4885ADORA2B 60/4885

“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.