SCHEMBL2072783

SCHEMBL2072783

CN1CCOc2cc(Cl)ncc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.45
ALPL P05186 2/20 0.41
GRM5 P41594 6/20 0.39
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
CYP11B2 P19099 2/20 0.35
NOTUM Q6P988 1/20 0.34
CYP11B1 P15538 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL2669102 0.84 KDM4E (0.43) LRRK2ALPLGRM5KDM4EATM
SCHEMBL15074407 0.75 CYP11B1 (0.46) GRM5CYP11B2NOTUMCYP11B1L3MBTL1
SCHEMBL14995200 0.73 HTR3A (0.47) LRRK2ALPLGRM5L3MBTL1AR
SCHEMBL1775926 0.73 LRRK2 (0.42) LRRK2ALPLGRM5NOTUMAR
SCHEMBL20786546 0.71 NPC1 (0.43) GRM5PIK3CAARKMT2A
SCHEMBL12343373 0.71 MAOB (0.38) GRM5CYP11B2
SCHEMBL18923813 0.70 PIK3CA (0.47) PIK3CAPIK3CD
SCHEMBL30397487 0.70 LRRK2 (0.45) LRRK2
SCHEMBL21403857 0.70 LRRK2 (0.45) LRRK2
SCHEMBL1558773 0.70 LRRK2 (0.41) LRRK2GRM5MEN1GAAMAPK1

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-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
US-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
US-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2011-03-03 US disclosed
WO-2007007040-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES ASTRAZENECA AB (SE) 2007-01-18 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-20110053910-A1 2 -HETEROCYCLYLOXYBENZOYL AMINO HETEROCYCLYL COMPOUNDS AS MODULATORS OF GLUCOKINASE FOR THE TREATMENT OF TYPE 2 DIABETES GCK, GCKR, HK1 LRRK2 4008/4885ALPL 4060/4885GRM5 1683/4885

“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.