SCHEMBL2087705

SCHEMBL2087705

c1ccc(COc2cc(O[C@H]3CCOC3)cc(-c3nc4cncnc4[nH]3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 15/20 0.39
GCK P35557 1/20 0.38
PARP14 Q460N5 1/20 0.38
CHEK2 O96017 1/20 0.37
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
LTC4S Q16873 1/20 0.35
AKT1 P31749 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL2086577 0.84 GCK (0.40) GCKAKT1PIK3CAMTOR
SCHEMBL2086949 0.74 GCK (0.40) PRMT5GCKCHEK2
SCHEMBL2086026 0.74 GCK (0.44) GCK
SCHEMBL2085692 0.73 GCK (0.51) GCK
SCHEMBL2653492 0.73 GCK (0.51) GCK
SCHEMBL2086278 0.72 GCK (0.40) GCKAKT1PIK3CAMTOR
SCHEMBL1774561 0.71 MEN1 (0.63) GCK
SCHEMBL2653486 0.71 MEN1 (0.63) GCK
SCHEMBL338207 0.70 MAOB (0.50)
SCHEMBL710664 0.70 DHODH (0.46) PRMT5CHEK2PTGESALOX5LTC4S

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 3 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

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 PRMT5 665/4885GCK 1/4885PARP14 1972/4885

“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.