SCHEMBL2033894

SCHEMBL2033894

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CC3CCC2C3)[C@@H](O)[C@H]1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.60
P2RY1 P47900 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
P2RY2 P41231 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
SRC P12931 2/20 0.60
DOT1L Q8TEK3 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60

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
SCHEMBL10689183 0.84 ADORA3 (0.73) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL8606022 0.84 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL8607675 0.84 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL10604613 0.84 ADORA1 (0.64) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL8606410 0.84 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL8606939 0.84 ADORA1 (0.64) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL10605321 0.83 PI4KA (0.62) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7189749 0.83 ADORA1 (0.59) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL7195835 0.83 ADORA1 (0.59) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3
SCHEMBL120551 0.82 ADORA3 (0.69) ADORA1P2RY1SMN1; SMN2P2RY2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328577-A1 THE TREATMENT OF HEARING LOSS Auckland UniServices Limited (NZ) 2011-06-08 EP claimed
EP-0291051-A2 Individual isomers of endo-bicyclo[2.2.1]heptyl adenosine WARNER-LAMBERT COMPANY (US) 1988-11-17 EP claimed
EP-3247715-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION Inotek Pharmaceuticals Corporation (US) 2017-11-29 EP disclosed
WO-2016090005-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION INOTEK PHARMACEUTICALS CORPORATION (US) 2016-06-09 WO disclosed
EP-2968388-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION Inotek Pharmaceuticals Corporation (US) 2016-01-20 EP disclosed
WO-2014152733-A1 A METHOD OF PROVIDING OCULAR NEUROPROTECTION INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-25 WO disclosed
EP-2555776-A1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND NON-SELECTIVE BETA-ADRENERGIC RECEPTOR BLOCKERS FOR REDUCING INTRAOCULAR PRESSURE Inotek Pharmaceuticals Corporation (US) 2013-02-13 EP disclosed
WO-2011116292-A1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND NON-SELECTIVE BETA-ADRENERGIC RECEPTOR BLOCKERS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION (US) 2011-09-22 WO disclosed
US-20110207689-A1 THE TREATMENT OF HEARING LOSS AUCKLAND UNISERVICES LIMITED 2011-08-25 US disclosed
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2010-01-14 US disclosed
EP-0689405-A4 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA INC (US) 1996-09-11 EP disclosed
EP-0689405-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1996-01-03 EP disclosed
WO-1994021195-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1994-09-29 WO disclosed
US-5227485-A Pyrazolo[3,4-d]pyrimidines with adenosine-like binding affinities GRIFFITH UNIVERSITY (AU) 1993-07-13 US disclosed
EP-0291051-A2 Individual isomers of endo-bicyclo[2.2.1]heptyl adenosine WARNER-LAMBERT COMPANY (US) 1988-11-17 EP 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-20110207689-A1 THE TREATMENT OF HEARING LOSS ADORA1, ADORA2A, ADORA3 ADORA1 1/4885P2RY1 9/4885SMN1; SMN2 3248/4885
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADRB1, ADRB2, ADRA2B ADORA1 14/4885P2RY1 170/4885SMN1; SMN2 2483/4885

“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.