SCHEMBL5373101

SCHEMBL5373101

Nc1ncnc2c1nc(COCP(=O)(O)O)n2CCCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.62
FGFR1 P11362 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 4/20 0.37
ERBB2 P04626 2/20 0.37
HSPA5 P11021 1/20 0.37

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
SCHEMBL4956466 0.94 FBP1 (0.64) FBP1FGFR1SLC22A6ADORA3ADORA2A
SCHEMBL4954814 0.81 FBP1 (0.49) FBP1SLC22A6ADORA2AADORA1ADORA2B
SCHEMBL5368083 0.78 FBP1 (0.65) FBP1FGFR1SLC22A6ADORA3ADORA2A
SCHEMBL5447019 0.76 FBP1 (0.65) FBP1FGFR1SLC22A6ADORA3ADORA2A
SCHEMBL4956730 0.75 FBP1 (0.56) FBP1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5369268 0.73 FBP1 (0.57) FBP1ADORA2AADORA1ADORA2BHSP90AA1
SCHEMBL4956734 0.73 FBP1 (0.53) FBP1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5365778 0.73 FBP1 (0.58) FBP1HSP90AA1HSP90AB1
SCHEMBL5358053 0.71 FBP1 (0.64) FBP1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL8053290 0.69 FGFR1 (0.67) FGFR1SLC22A6ADORA2AADORA1ADORA2B

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 1/4885FGFR1 177/4885SLC22A6 202/4885

“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.