SCHEMBL1041008

SCHEMBL1041008

COC(=O)c1cc(O)cc(Oc2cnc(C(=O)N(C)C)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GCK P35557 13/20 0.44
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
F2 P00734 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
SCHEMBL2655275 0.85 GCK (0.43) GCKMAPK1LMNAKDM4EALDH1A1
SCHEMBL12579150 0.83 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1040920 0.82 GCK (0.54) GCK
SCHEMBL2659188 0.81 GCK (0.42) GCKMAPK1LMNA
SCHEMBL2086782 0.81 GCK (0.65) GCK
SCHEMBL1040072 0.80 GCK (0.55) GCK
SCHEMBL359969 0.80 GCK (0.51) CA12CA1CA2CA7CA9
SCHEMBL1043065 0.78 GCK (0.55) GCK
SCHEMBL1040935 0.78 GCK (0.55) GCK
SCHEMBL2662299 0.78 GCK (0.55) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964725-B2 Heteroarylbenzamide derivatives for use in the treatment of diabetes ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964725-B2 Heteroarylbenzamide derivatives for use in the treatment of diabetes ASTRAZENECA AB (SE) 2011-06-21 US disclosed
US-7964725-B2 Heteroarylbenzamide derivatives for use in the treatment of diabetes ASTRAZENECA AB (SE) 2011-06-21 US disclosed
EP-2272834-A1 Benzoyl amino heterocyclyl compounds as glucokinase (GLK) activators AstraZeneca AB (SE) 2011-01-12 EP disclosed
EP-2272834-A1 Benzoyl amino heterocyclyl compounds as glucokinase (GLK) activators AstraZeneca AB (SE) 2011-01-12 EP disclosed
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-08 US disclosed
US-7671060-B2 Heteroaryl benzamide derivatives ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7671060-B2 Heteroaryl benzamide derivatives ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7671060-B2 Heteroaryl benzamide derivatives ASTRAZENECA AB (SE) 2010-03-02 US disclosed
EP-2078000-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2009-07-15 EP disclosed
US-20080318968-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318968-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318968-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-12-25 US disclosed
WO-2008050117-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2008-05-02 WO disclosed
WO-2008050117-A1 BENZOYL AMINO HETEROCYCLYL COMPOUNDS AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2008-05-02 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 (2 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-20080318968-A1 Chemical Compounds GCKR, GCK, HK1 CA12 4344/4885CA1 3275/4885CA2 1724/4885
US-20100173825-A1 HETEROARYL BENZAMIDE DERIVATIVES GCK, GCKR, HK1 CA12 4822/4885CA1 4611/4885CA2 2612/4885

“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.