SCHEMBL5362133

SCHEMBL5362133

Nc1nc(CCc2ccccc2)nc2[nH]c(COCP(=O)(O)O)nc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.46
PNP P00491 3/20 0.38
ADORA1 P30542 5/20 0.37
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ANPEP P15144 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ERAP2 Q6P179 1/20 0.33
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL5362116 0.83 FBP1 (0.43) FBP1PNPADORA1HCAR2ALDH1A1
SCHEMBL5358009 0.79 ADORA1 (0.43) ADORA1ADORA2AADORA2BADORA3HDAC6
SCHEMBL5357833 0.77 ADORA1 (0.42) ADORA1ADORA2AADORA2BADORA3ALDH1A1
SCHEMBL6346439 0.75 FBP1 (0.46) FBP1PNPADORA1ADORA2AADORA2B
SCHEMBL5358350 0.75 FBP1 (0.46) FBP1ADORA1ADORA2AADORA2BHDAC6
SCHEMBL5369183 0.74 ADORA1 (0.38) FBP1ADORA1ADORA2AADORA2BADORA3
SCHEMBL5359002 0.72 MMP2 (0.45) ADORA1ADORA2AADORA2BSMN1; SMN2
SCHEMBL5364353 0.71 ADORA1 (0.43) ADORA1ADORA2AADORA2BADORA3ALDH1A1
SCHEMBL5361202 0.66 FBP1 (0.44) FBP1PNPADORA1ADORA2AADORA2B
SCHEMBL3359610 0.66 TSHR (0.59) FBP1ALDH1A1RAB9AANPEPERAP1

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 1/4885PNP 2/4885ADORA1 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.