SCHEMBL5369919

SCHEMBL5369919

Nc1nc(Cc2ccc3ccccc3c2)nc2[nH]c(NCCP(=O)(O)O)nc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.48
MPO P05164 1/20 0.34
MC4R P32245 2/20 0.33
MC5R P33032 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
ROCK1 Q13464 1/20 0.33
BACE1 P56817 1/20 0.33
MME P08473 1/20 0.32
CHEK2 O96017 1/20 0.32
NLN Q9BYT8 1/20 0.32
MC3R P41968 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
SCHEMBL5361202 0.88 FBP1 (0.44) FBP1TLR7
SCHEMBL6346439 0.82 FBP1 (0.46) FBP1TLR7
SCHEMBL8333636 0.72 PI4KA (0.46) FBP1TLR7
SCHEMBL5369925 0.66 PI4KA (0.48) FBP1
SCHEMBL5369934 0.65 FBP1 (1.00) FBP1TLR7
SCHEMBL21171828 0.64 MC4R (0.61) MC4RMC5RMC3R
SCHEMBL5363124 0.61 ADORA1 (0.46)
SCHEMBL5730847 0.60 TLR7 (0.43) FBP1TLR7
SCHEMBL21171830 0.60 BCHE (0.48) MC4RMC5RMC3R
SCHEMBL915502 0.60 PGK1 (0.50)

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 1/4885MPO 3569/4885MC4R 4127/4885

“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.