Sugi Predict

Sugi Predict / Compounds / SCHEMBL2087531

SCHEMBL2087531

SCHEMBL2087531

COC[C@H](C)Oc1cc(O)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 8/20 0.41
▸ ABL1 P00519 2/20 0.35
▸ RIPK1 Q13546 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HIPK2 Q9H2X6 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DHFR P00374 2/20 0.33
▸ DCPS Q96C86 2/20 0.33
▸ ACHE P22303 1/20 0.33

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
SCHEMBL2086447 0.87 CBFB (0.42) GCKRIPK1AURKAMAPTCCNB2
SCHEMBL2086747 0.86 PRMT5 (0.41) GCKRARARARBACHE
SCHEMBL2087030 0.86 GCK (0.46) GCKRIPK1RARARARBACHE
SCHEMBL2668031 0.84 GCK (0.37) GCKRIPK1RARARARBMAPT
SCHEMBL709552 0.83 GCK (0.38) GCKRARARARBMAPTACHE
SCHEMBL709551 0.83 GCK (0.38) GCKRARARARBMAPTACHE
SCHEMBL2085435 0.83 GCK (0.38) GCKRARARARBMAPTACHE
SCHEMBL2086138 0.83 AURKA (0.39) GCKAURKAGSK3BMAPTCCNB2
SCHEMBL2086661 0.82 GCK (0.51) GCKRARARARB
SCHEMBL2668044 0.82 GCK (0.51) GCKRARARARB

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-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 — — 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-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS GCK, PDXK, GCKR GCK 1/4885ABL1 2924/4885RIPK1 601/4885

“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.