Sugi Predict

Sugi Predict / Compounds / SCHEMBL1097451

SCHEMBL1097451

SCHEMBL1097451

Nc1ncnc2c1nc(-c1ccccc1)n2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAPDH P04406 2/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ NADK O95544 1/20 0.81
▸ SIRT2 Q8IXJ6 1/20 0.73
▸ SIRT1 Q96EB6 1/20 0.73
▸ HSPA8 P11142 3/20 0.71
▸ HSPA5 P11021 2/20 0.71
▸ ADORA3 P0DMS8 2/20 0.69
▸ SLC28A2 O43868 6/20 0.69
▸ TRPM2 O94759 1/20 0.69
▸ ADORA2A P29274 1/20 0.65
▸ RXFP1 Q9HBX9 1/20 0.64

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
SCHEMBL1097445 1.00 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1106676 1.00 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL15906322 1.00 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL13835108 0.92 GAPDH (0.84) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL13835111 0.91 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1099269 0.91 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL952182 0.91 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL952181 0.91 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1099264 0.91 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1097372 0.89 GAPDH (0.80) GAPDHHSD17B10NADKSIRT2SIRT1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765844-B1 PURINE NUCLEOTIDE DERIVATIVES SOLVELL AS (NO) 2014-07-30 — — EP disclosed
US-8153609-B2 Purine nucleotide derivatives LAURAS AS (NO) 2012-04-10 — — US disclosed
US-20080293665-A1 Purine Nucleotide Derivatives LAURAS AS (NO) 2008-11-27 — — US disclosed
CN-101001865-A Purine nucleotide derivatives LAURAS AS (NO) 2007-07-18 — — CN disclosed
EP-1765844-A2 PURINE NUCLEOTIDE DERIVATIVES Lauras AS (NO) 2007-03-28 — — EP disclosed
WO-2005123755-A2 PURINE NUCLEOTIDE DERIVATIVES LAURAS AS (NO) 2005-12-29 — — WO disclosed
WO-2003051881-A1 SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES RIBAPHARM INC. (US) 2003-06-26 — — WO disclosed
US-5783679-A Purine nucleoside modifications by palladium catalyzed methods and oligonucleotides containing same NEXSTAR PHARMACEUTICALS, INC. (US) 1998-07-21 — — US disclosed
US-5580972-A DISPLACEMENT OF HALOGEN LEAVING GROUP ATTACHED TO PURINE RING WITH ORGANOTIN COMPOUND IN PRESENCE OF PALLADIUM CATALYST NEXSTAR PHARMACEUTICALS, INC. (US) 1996-12-03 — — US disclosed
WO-1996016972-A1 PURINE NUCLEOSIDE MODIFICATIONS BY PALLADIUM CATALYZED METHODS NEXSTAR PHARMACEUTICALS, INC. (US) 1996-06-06 — — 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-20080293665-A1 Purine Nucleotide Derivatives CGAS, PDE8A, PDE7A GAPDH 1967/4885HSD17B10 4521/4885NADK 301/4885

“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.