SCHEMBL1097985

SCHEMBL1097985

CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccco3)nc3c(N)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.50
ADORA2A P29274 5/20 0.50
ADORA2B P29275 5/20 0.50
ADORA1 P30542 5/20 0.50
ALDH1A1 P00352 5/20 0.47
TMIGD3 P0DMS9 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ADK P55263 2/20 0.43

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
SCHEMBL1097987 1.00 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1097330 0.87 SIRT2 (0.58) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL1097331 0.87 SIRT2 (0.58) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL14034299 0.86 ALDH1A1 (0.54) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1097068 0.85 ALDH1A1 (0.47) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1097069 0.85 ALDH1A1 (0.47) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1097798 0.84 GAPDH (0.60) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1098016 0.84 PRKAB2 (0.46) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1097796 0.84 GAPDH (0.60) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1098013 0.84 PRKAB2 (0.46) ALDH1A1PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765844-B1 PURINE NUCLEOTIDE DERIVATIVES SOLVELL AS (NO) 2014-07-30 EP disclosed
US-8153609-B2 Purine nucleotide derivatives LAURAS AS (NO) 2012-04-10 US disclosed
US-20080293665-A1 Purine Nucleotide Derivatives LAURAS AS (NO) 2008-11-27 US 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-20080293665-A1 Purine Nucleotide Derivatives CGAS, PDE8A, PDE7A ADORA3 26/4885ADORA2A 15/4885ADORA2B 45/4885

“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.