SCHEMBL2372382

SCHEMBL2372382

Nc1ncnc2c1ncn2[C@]1(C2CCCC2OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.49
ADORA1 P30542 4/20 0.49
ADORA3 P0DMS8 3/20 0.42
AHCY P23526 2/20 0.42

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
SCHEMBL2373109 0.98 ADORA2A (0.49) ADORA2AADORA1ADORA3AHCY
SCHEMBL8606010 0.83 SLC28A1 (0.53) ADORA2AADORA1ADORA3AHCY
SCHEMBL123719 0.81 ADORA3 (0.49) ADORA2AADORA1ADORA3AHCY
SCHEMBL8608410 0.81 SLC28A1 (0.53) ADORA2AADORA1ADORA3AHCY
SCHEMBL120550 0.78 ADORA3 (0.51) ADORA2AADORA1ADORA3AHCY
SCHEMBL10689174 0.78 ADORA3 (0.53) ADORA2AADORA1ADORA3AHCY
SCHEMBL8704526 0.78 AHCY (0.47) ADORA2AADORA1ADORA3AHCY
SCHEMBL120561 0.77 ADORA3 (0.50) ADORA2AADORA1ADORA3AHCY
SCHEMBL28822391 0.77 ADORA3 (0.48) ADORA2AADORA1ADORA3AHCY
SCHEMBL11006064 0.77 ADORA3 (0.48) ADORA2AADORA1ADORA3

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-8501708-B2 Adenosine compounds and their use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2013-08-06 US disclosed
EP-2552932-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF Inotek Pharmaceuticals Corporation (US) 2013-02-06 EP disclosed
US-20110245194-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-10-06 US disclosed
WO-2011119919-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-09-29 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 (1 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-20110245194-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF ADORA1, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 1/4885ADORA3 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.