SCHEMBL5361202

SCHEMBL5361202

Nc1nc(Cc2ccccc2)nc2[nH]c(NCCP(=O)(O)O)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.44
ADORA1 P30542 4/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PI4KA P42356 2/20 0.36
PI4K2B Q8TCG2 2/20 0.36
PI4K2A Q9BTU6 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
PNP P00491 1/20 0.36
PIM1 P11309 1/20 0.35
S1PR3 Q99500 2/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL6346439 0.91 FBP1 (0.46) FBP1ADORA1ADORA2AADORA2BPI4KA
SCHEMBL5369919 0.88 FBP1 (0.48) FBP1TLR7
SCHEMBL8333636 0.83 PI4KA (0.46) FBP1ADORA1CYP1A2CYP3A4CYP2D6
SCHEMBL5363124 0.72 ADORA1 (0.46) ADORA1ADORA2AADORA2BCYP1A2CYP3A4
SCHEMBL5358350 0.67 FBP1 (0.46) FBP1ADORA1ADORA2AADORA2B
SCHEMBL5362133 0.66 FBP1 (0.46) FBP1ADORA1ADORA2AADORA2BTLR7
SCHEMBL5369183 0.66 ADORA1 (0.38) FBP1ADORA1ADORA2AADORA2BTLR7
SCHEMBL217337 0.66 ADORA1 (0.47) ADORA1ADORA2AADORA2BCYP1A2CYP3A4
SCHEMBL27586650 0.64 ADORA1 (0.36) ADORA1ADORA2AADORA2BCYP1A2CYP3A4
Phosphoric Acid SCHEMBL27565804 0.63 PDE4A (0.56) ADORA2ACYP1A2CYP3A4CYP2D6CYP2C9

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 1/4885ADORA1 127/4885ADORA2A 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.