SCHEMBL5357692

SCHEMBL5357692

CCOP(=O)(CNC(=O)c1nc2c(N)ncnc2n1CCc1ccccc1)OCC

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 10/20 0.76
ADORA2A P29274 5/20 0.51
ADORA1 P30542 4/20 0.51
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL5358382 0.87 FBP1 (1.00) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5359008 0.80 FBP1 (0.68) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5376477 0.78 FBP1 (0.76) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5732048 0.71 ADORA2A (0.72) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6346450 0.69 FBP1 (1.00) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5358021 0.69 ADORA2A (0.69) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5364361 0.69 ADORA2A (1.00) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5357844 0.67 ADORA2A (0.73) FBP1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5357687 0.65 FPR2 (0.35) FBP1KMT2A
SCHEMBL5731170 0.64 ADORA2A (0.57) FBP1ADORA2AADORA1ADORA3ADORA2B

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 FBP1 1/4885ADORA2A 319/4885ADORA1 127/4885

“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.