SCHEMBL5358053

SCHEMBL5358053

Nc1ncnc2c1nc(NCCP(=O)(O)O)n2CCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.64
HSPA5 P11021 1/20 0.41
HSP90AA1 P07900 3/20 0.40
HSP90AB1 P08238 3/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL5365778 0.78 FBP1 (0.58) FBP1HSP90AA1HSP90AB1
SCHEMBL6346450 0.78 FBP1 (1.00) FBP1ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4956466 0.77 FBP1 (0.64) FBP1HSPA5HSP90AA1HSP90AB1ADORA3
SCHEMBL5369268 0.77 FBP1 (0.57) FBP1HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL5361216 0.76 FBP1 (1.00) FBP1ADORA2AADORA1
SCHEMBL4956730 0.74 FBP1 (0.56) FBP1HSP90AA1HSP90AB1ADORA3ADORA2A
SCHEMBL4954196 0.74 ADORA2A (0.61) FBP1HSP90AA1HSP90AB1ADORA3ADORA2A
SCHEMBL4958943 0.73 FBP1 (0.53) FBP1HSPA5HSP90AA1HSP90AB1
SCHEMBL4956734 0.72 FBP1 (0.53) FBP1HSP90AA1HSP90AB1ADORA3ADORA2A
SCHEMBL5369934 0.72 FBP1 (1.00) FBP1ADORA2AADORA1

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 1/4885HSPA5 2661/4885HSP90AA1 4022/4885

“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.