SCHEMBL123718

SCHEMBL123718

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CCCC2Cl)[C@@H](O)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ADORA3 P0DMS8 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA2B P29275 2/20 0.61
DPP4 P27487 1/20 0.61
MEN1 O00255 1/20 0.61
SLC28A1 O00337 1/20 0.61
MAP3K7 O43318 1/20 0.61
SLC28A2 O43868 1/20 0.61
GAPDH P04406 1/20 0.61
MAPK1 P28482 1/20 0.61
STAT6 P42226 1/20 0.61
PI4KA P42356 1/20 0.61
KMT2A Q03164 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
DOT1L Q8TEK3 1/20 0.61
SLC29A1 Q99808 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
SLC28A3 Q9HAS3 1/20 0.61

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
SCHEMBL8607675 0.90 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8606022 0.90 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8606410 0.89 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8606939 0.89 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7459994 0.87 ADORA1 (0.61) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL120551 0.85 ADORA3 (0.69) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10689183 0.85 ADORA3 (0.73) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL2372390 0.85 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL120562 0.84 ADORA3 (0.68) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8608418 0.83 ADORA1 (0.61) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125779-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2019-05-02 US claimed
EP-3247715-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION Inotek Pharmaceuticals Corporation (US) 2017-11-29 EP claimed
US-20170042929-A9 Methods of Treating Neurological Diseases UNIVERSITY OF HOUSTON 2017-02-16 US claimed
WO-2016109624-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2016-07-07 WO claimed
WO-2016090005-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION (US) 2016-06-09 WO claimed
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 US claimed
EP-2968388-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION Inotek Pharmaceuticals Corporation (US) 2016-01-20 EP claimed
US-20150051166-A1 Methods of Treating Neurological Diseases ZIBURKUS JOKUBAS (US) 2015-02-19 US claimed
WO-2014152733-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-25 WO claimed
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-18 US claimed
WO-2014028883-A1 METHODS OF TREATING OF NEUROLOGICAL DISEASES UNIVERSITY OF HOUSTON (US) 2014-02-20 WO claimed
US-20130005676-A1 ENHANCING THE THERAPEUTIC EFFECT OF ACUPUNCTURE WITH ADENOSINE UNIVERSITY OF ROCHESTER (US) 2013-01-03 US claimed
EP-2504347-A1 ENHANCING THE THERAPEUTIC EFFECT OF ACUPUNCTURE WITH ADENOSINE University Of Rochester (US) 2012-10-03 EP claimed
WO-2011066412-A1 ENHANCING THE THERAPEUTIC EFFECT OF ACUPUNCTURE WITH ADENOSINE UNIVERSITY OF ROCHESTER (US) 2011-06-03 WO claimed
US-20100284984-A1 ADENOSINE AND ITS MIMETICS. MODULATORS, TRANSPORT INHIBITORS, AND RECEPTOR AGONISTS AS A THERAPEUTIC TOOL TO REPLACE OR IMPROVE THE EFFICACY OF DEEP BRAIN STIMULATION UNIVERSITY OF ROCHESTER (US) 2010-11-11 US claimed
EP-2180916-A1 ADENOSINE AND ITS MIMETICS, MODULATORS, TRANSPORT INHIBITORS, AND RECEPTOR AGONISTS AS A THERAPEUTIC TOOL TO REPLACE OR IMPROVE THE EFFICACY OF DEEP BRAIN STIMULATION University Of Rochester (US) 2010-05-05 EP claimed
WO-2009018275-A1 ADENOSINE AND ITS MIMETICS, MODULATORS, TRANSPORT INHIBITORS, AND RECEPTOR AGONISTS AS A THERAPEUTIC TOOL TO REPLACE OR IMPROVE THE EFFICACY OF DEEP BRAIN STIMULATION UNIVERSITY OF ROCHESTER (US) 2009-02-05 WO claimed
EP-0996453-B1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE MOHLER HANNS (CH) 2004-04-28 EP claimed
US-20190125779-A1 PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF HOUSTON SYSTEM (US) 2019-05-02 US disclosed
WO-1998058653-A1 METHODS FOR THE INHIBITION OF NEURONAL ACTIVITY BY LOCAL DELIVERY OF ADENOSINE MOHLER HANNS (CH) 1998-12-30 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-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION ADORA2A, ADORA1, PDE6C ADORA1 2/4885SMN1; SMN2 1976/4885ADORA3 4/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA1 101/4885SMN1; SMN2 151/4885ADORA3 226/4885

“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.