Sugi Predict

Sugi Predict / Compounds / SCHEMBL2086447

SCHEMBL2086447

SCHEMBL2086447

CC(C)Oc1cc(O)cc(-c2nc3cccnc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.42
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ RIPK1 Q13546 6/20 0.37
▸ GCK P35557 4/20 0.36
▸ CCNB2 O95067 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNB3 Q8WWL7 2/20 0.35
▸ SMPD3 Q9NY59 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 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
SCHEMBL2087531 0.87 GCK (0.41) RIPK1GCKCCNB2CDK1CCNB1
SCHEMBL709496 0.83 PRMT5 (0.44) CBFBGCK
SCHEMBL10206658 0.82 NOS3 (0.38) CBFBGCK
SCHEMBL10206659 0.82 DHODH (0.41) CBFBGCKMEN1KMT2AKDM4E
SCHEMBL2086932 0.81 GCK (0.43) CBFBHDAC3HDAC1HDAC2HDAC8
SCHEMBL711181 0.79 GCK (0.45) CBFBGCK
SCHEMBL711559 0.79 GCK (0.46) CBFBHDAC3HDAC1HDAC2HDAC8
SCHEMBL712130 0.79 CBFB (0.41) CBFBRIPK1GCKCCNB2CDK1
Trifluoroacetic Acid SCHEMBL713011 0.78 GCK (0.44) CBFBGCK
SCHEMBL2086905 0.78 GCK (0.64) GCK

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 5 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
CN-101228162-A 2-phenyl substituted imidazol [4,5b]pyridine/ pyrazine and purine derivatives as glucokinase modulators ASTRAZENECA AB (SE) 2008-07-23 — — CN 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 CBFB 2802/4885HDAC3 2381/4885HDAC1 1680/4885

“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.