SCHEMBL5447019

SCHEMBL5447019

C=CCn1c(COCP(=O)(O)O)nc2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.65
ADORA2A P29274 4/20 0.53
ADORA1 P30542 4/20 0.53
ADORA2B P29275 3/20 0.53
ADORA3 P0DMS8 2/20 0.53
FGFR1 P11362 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CYP3A4 P08684 1/20 0.40
ENPP1 P22413 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
SCHEMBL5368083 0.82 FBP1 (0.65) FBP1ADORA2AADORA1ADORA2BADORA3
SCHEMBL4956466 0.79 FBP1 (0.64) FBP1ADORA2AADORA1ADORA3FGFR1
SCHEMBL5373101 0.76 FBP1 (0.62) FBP1ADORA2AADORA1ADORA2BADORA3
SCHEMBL4909033 0.71 ADORA2A (0.59) FBP1ADORA2AADORA1ADORA2BADORA3
SCHEMBL4954814 0.66 FBP1 (0.49) FBP1ADORA2AADORA1ADORA2BSLC22A6
SCHEMBL5376477 0.66 FBP1 (0.76) FBP1ADORA2AADORA1ADORA2BADORA3
SCHEMBL9185744 0.65 SLC22A6 (0.62) FBP1ADORA2AADORA1FGFR1SLC22A6
Adefovir SCHEMBL29365535 0.65 FGFR1 (1.00) ADORA2AADORA1ADORA2BFGFR1SLC22A6
Adefovir SCHEMBL49373 0.65 FGFR1 (1.00) ADORA2AADORA1ADORA2BFGFR1SLC22A6
SCHEMBL8418890 0.64 ADORA2A (0.61) FBP1ADORA2AADORA1ADORA2BADORA3

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 4 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

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.