SCHEMBL123719

SCHEMBL123719

Nc1ncnc2c1ncn2[C@]1(C2CCCC2Cl)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.49
ADORA2A P29274 3/20 0.49
SLC28A1 O00337 2/20 0.47
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
MAP3K7 O43318 1/20 0.47
SLC28A2 O43868 1/20 0.47
GAPDH P04406 1/20 0.47
MAPK1 P28482 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
STAT6 P42226 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DOT1L Q8TEK3 1/20 0.47
SLC29A1 Q99808 1/20 0.47

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
SCHEMBL28822391 0.91 ADORA3 (0.48) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL8606010 0.90 SLC28A1 (0.53) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL8608410 0.88 SLC28A1 (0.53) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL120550 0.85 ADORA3 (0.51) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL10689174 0.85 ADORA3 (0.53) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL120561 0.84 ADORA3 (0.50) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL8608416 0.83 ADORA3 (0.47) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL8608777 0.82 ADORA3 (0.50) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL10699083 0.82 ADORA3 (0.48) ADORA3ADORA2ASLC28A1PI4KAPI4K2B
SCHEMBL2372382 0.81 ADORA2A (0.49) ADORA3ADORA2AADORA1AHCY

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
US-20160158267-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION 2016-06-09 US claimed
WO-2016090005-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION (US) 2016-06-09 WO 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 ADORA3 4/4885ADORA2A 1/4885SLC28A1 411/4885
US-20140275128-A1 METHOD OF PROVIDING OCULAR NEUROPROTECTION ALDH1A2, GAP43, ALDH1A3 ADORA3 226/4885ADORA2A 24/4885SLC28A1 624/4885

“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.