SCHEMBL5376646

SCHEMBL5376646

CC(=O)OCc1nc2c(Cl)ncnc2n1CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.37
HSP90AA1 P07900 4/20 0.34
HSP90AB1 P08238 4/20 0.34
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
FGFR1 P11362 4/20 0.32
FGFR4 P22455 4/20 0.32
P2RX7 Q99572 2/20 0.32
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
FDPS P14324 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL5362617 0.78 FBP1 (0.37) FBP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL21877973 0.78 HSP90AA1 (0.37) FBP1HSP90AA1HSP90AB1
SCHEMBL5368083 0.67 FBP1 (0.65) FBP1TLR8TLR7FGFR1PI4KA
SCHEMBL5362792 0.67 FBP1 (0.41) FBP1
SCHEMBL17933402 0.66 ADORA3 (0.40) FBP1FGFR1FGFR4P2RX7FDPS
SCHEMBL15719527 0.65 PIK3CD (0.39) FBP1
SCHEMBL5362049 0.65 FBP1 (0.36) FBP1HSP90AA1HSP90AB1FDPS
SCHEMBL21878030 0.64 CYP1A2 (0.33)
SCHEMBL15719921 0.63 FGFR1 (0.38) FGFR1FGFR4P2RX7HDAC6
SCHEMBL25351194 0.63 FBP1 (0.38) FBP1HDAC6

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 1/4885HSP90AA1 4022/4885HSP90AB1 3634/4885

“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.