SCHEMBL5369934

SCHEMBL5369934

Nc1ncnc2c1nc(NCCP(=O)(O)O)n2Cc1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 1.00
SLC28A2 O43868 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MAPK1 P28482 1/20 0.40
TLR7 Q9NYK1 2/20 0.40

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
SCHEMBL5361216 0.89 FBP1 (1.00) FBP1ADORA2AADORA1MAPK1TLR7
SCHEMBL6346450 0.81 FBP1 (1.00) FBP1SLC28A2ADORA2AADORA1MAPK1
SCHEMBL5358053 0.72 FBP1 (0.64) FBP1ADORA2AADORA1
SCHEMBL5369919 0.65 FBP1 (0.48) FBP1TLR7
SCHEMBL5369550 0.65 FBP1 (1.00) FBP1SLC28A2
SCHEMBL5369521 0.65 FBP1 (1.00) FBP1SLC28A2
SCHEMBL5369925 0.64 PI4KA (0.48) FBP1
SCHEMBL4129124 0.64 FBP1 (0.51) FBP1SLC28A2ADORA2AADORA1MAPK1
SCHEMBL14303831 0.63 TLR7 (0.64) FBP1TLR7
SCHEMBL1914306 0.63 ADORA2A (0.71) FBP1ADORA2AADORA1MAPK1

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 1/4885SLC28A2 54/4885ADORA2A 319/4885

“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.