SCHEMBL1775617

SCHEMBL1775617

COC(=O)c1cc(Oc2ccc3c(c2)OCCN(C)C3=O)cc(OC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GRM5 P41594 2/20 0.38
GCK P35557 1/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 2/20 0.36
TNIK Q9UKE5 1/20 0.36
RIPK1 Q13546 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADCY1 Q08828 1/20 0.34
LCK P06239 1/20 0.34
MET P08581 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
SCHEMBL1776039 0.92 GRM5 (0.38) GRM5GCKKCNH2PIK3CDPIK3CA
SCHEMBL1775741 0.90 GRM5 (0.39) GRM5GCKKCNH2PIK3CDPIK3CA
SCHEMBL1775822 0.90 MAPT (0.39) ROCK2ROCK1GRM5GCKKCNH2
SCHEMBL1774936 0.90 GCK (0.43) ROCK2ROCK1GCKKCNH2
SCHEMBL1776173 0.87 ROCK2 (0.40) ROCK2ROCK1GRM5MAPTALDH1A1
SCHEMBL1775458 0.83 GCK (0.45) GCKKCNH2ADCY1
SCHEMBL1775877 0.83 GCK (0.61) GCKKCNH2
SCHEMBL1776593 0.81 GCK (0.43) GCKKCNH2
SCHEMBL1776155 0.80 KMT2A (0.39) GRM5GCKKCNH2MAPTALDH1A1
SCHEMBL9072484 0.79 PARP10 (0.40) GRM5GCKKCNH2PIK3CDPIK3CA

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-7943607-B2 Heteroaryl benzamide derivatives for use as GLK activators in the treatment of diabetes ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-20090105214-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes ASTRAZENECA AB (SE) 2009-04-23 US disclosed
EP-1891058-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125972-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES 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-20090105214-A1 Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes GCK, GCKR, GK ROCK2 1389/4885ROCK1 2178/4885GRM5 778/4885

“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.