SCHEMBL5357844

SCHEMBL5357844

Nc1ncnc2c1nc(CBr)n2CCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.73
ADORA1 P30542 7/20 0.73
FBP1 P09467 8/20 0.65
ADORA2B P29275 5/20 0.49
ADORA3 P0DMS8 3/20 0.49
MAPK1 P28482 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PI4KA P42356 3/20 0.46
PI4K2B Q8TCG2 3/20 0.46
PI4K2A Q9BTU6 3/20 0.46
PI4KB Q9UBF8 3/20 0.46

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
SCHEMBL5358021 0.87 ADORA2A (0.69) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL5364361 0.84 ADORA2A (1.00) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL5732048 0.82 ADORA2A (0.72) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL3122091 0.78 ADORA2A (0.59) ADORA2AADORA1FBP1HSP90AA1HSP90AB1
SCHEMBL5376477 0.75 FBP1 (0.76) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL5359008 0.74 FBP1 (0.68) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL13519650 0.73 HSP90B1 (0.67) ADORA2AADORA1FBP1MAPK1HSP90AA1
SCHEMBL4341941 0.73 ADORA2A (1.00) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL4956734 0.72 FBP1 (0.53) ADORA2AADORA1FBP1ADORA2BADORA3
SCHEMBL17897916 0.72 HSP90B1 (0.67) FBP1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285543-B2 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2007-10-23 US disclosed
US-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase DANG QUN 2005-12-15 US disclosed
US-6967193-B1 Purine inhibitors of fructose-1,6-bisphosphatase METABASIS THERAPEUTICS, INC. (US) 2005-11-22 US disclosed
US-6284748-B1 ANTIDIABETIC AGENT METABASIS THERAPEUTICS, INC. 2001-09-04 US disclosed
WO-1998039344-A9 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE 1999-01-21 WO disclosed
WO-1998039344-A1 NOVEL PURINE INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE METABASIS THERAPEUTICS, INC. (US) 1998-09-11 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-20050277619-A1 Novel purine inhibitors of fructose-1,6-bisphosphatase FBP1, PNP, PPA1 ADORA2A 319/4885ADORA1 127/4885FBP1 1/4885

“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.