SCHEMBL939593

SCHEMBL939593

NNOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ADORA3 P0DMS8 2/20 0.71
ADORA2A P29274 2/20 0.71
ADORA2B P29275 2/20 0.71
DPP4 P27487 1/20 0.71
MEN1 O00255 1/20 0.71
SLC28A1 O00337 1/20 0.71
MAP3K7 O43318 1/20 0.71
SLC28A2 O43868 1/20 0.71
GAPDH P04406 1/20 0.71
MAPK1 P28482 1/20 0.71
STAT6 P42226 1/20 0.71
PI4KA P42356 1/20 0.71
KMT2A Q03164 1/20 0.71
PI4K2B Q8TCG2 1/20 0.71
DOT1L Q8TEK3 1/20 0.71
SLC29A1 Q99808 1/20 0.71
PI4K2A Q9BTU6 1/20 0.71
SLC28A3 Q9HAS3 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
SCHEMBL6569310 0.92 ADORA1 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8708990 0.91 ADORA1 (0.71) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL1723484 0.88 P2RY1 (0.70) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL12963362 0.87 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL5024895 0.87 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2040670 0.87 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10997946 0.87 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL481524 0.87 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7803298 0.87 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL17440176 0.87 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609833-B2 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2013-12-17 US disclosed
US-20120264706-A1 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2012-10-18 US disclosed
US-8183224-B2 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-05-22 US disclosed
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-1758596-B9 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-09-15 EP disclosed
EP-2221307-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2010-08-25 EP disclosed
EP-1758596-B1 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-03-31 EP disclosed
US-7655637-B2 N-pyrazole A2A receptor agonists GILEAD PALO ALTO, INC. (US) 2010-02-02 US disclosed
US-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2009-03-05 US disclosed
US-7423144-B2 Purine Derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-6368573-B1 MEASURING MYOCARDIAL FUNCTION IN MAMMAL KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-04-09 US disclosed
EP-0727959-A4 DIAGNOSTIC USES OF HYDRAZINOADENOSINES DISCOVERY THERAPEUTICS INC (US) 2000-11-08 EP disclosed
EP-0727959-A4 DIAGNOSTIC USES OF HYDRAZINOADENOSINES DISCOVERY THERAPEUTICS INC (US) 2000-11-08 EP disclosed
EP-0727959-A1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES Discovery Therapeutics, Inc. (US) 1996-08-28 EP disclosed
EP-0727959-A1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES Discovery Therapeutics, Inc. (US) 1996-08-28 EP disclosed
US-5477857-A Measuring myocardial function in mammals DISCOVERY THERAPEUTICS, INC. (US) 1995-12-26 US disclosed
US-5477857-A Measuring myocardial function in mammals DISCOVERY THERAPEUTICS, INC. (US) 1995-12-26 US disclosed
US-5477857-A Measuring myocardial function in mammals DISCOVERY THERAPEUTICS, INC. (US) 1995-12-26 US disclosed
WO-1995007049-A1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES DISCOVERY THERAPEUTICS, INC. (US) 1995-03-16 WO disclosed
WO-1995007049-A1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES DISCOVERY THERAPEUTICS, INC. (US) 1995-03-16 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-20110002843-A1 METHOD OF DETECTING MYOCARDIAL DYSFUNCTION IN PATIENTS HAVING A HISTORY OF ASTHMA OR BRONCHOSPASM TNNI3, BDKRB2, BDKRB1 ADORA1 362/4885SMN1; SMN2 4154/4885ADORA3 159/4885
US-20090062314-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof ADORA2A, ADORA1, ADORA3 ADORA1 2/4885SMN1; SMN2 886/4885ADORA3 3/4885
US-20120264706-A1 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF ADORA2A, ADORA1, ADORA3 ADORA1 2/4885SMN1; SMN2 886/4885ADORA3 3/4885

“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.