SCHEMBL2712437

SCHEMBL2712437

Cc1cn2cc(-c3ccc(C4(NC(=O)OC(C)(C)C)CC4)nc3)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.38
AKT1 P31749 1/20 0.37
MCHR1 Q99705 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
SYK P43405 2/20 0.35
PIK3CA P42336 3/20 0.34
ABL1 P00519 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MAP3K5 Q99683 3/20 0.34
CLK1 P49759 2/20 0.34
CLK2 P49760 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
RET P07949 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL2728853 0.79 GSK3B (0.54) GSK3BDYRK1ARET
SCHEMBL2713417 0.76 GPR119 (0.43) KITAKT1ALDH1A1
SCHEMBL2731868 0.76 AKT1 (0.41) KITAKT1GSK3BDYRK1ASYK
SCHEMBL2392301 0.74 AKT1 (0.38) KITAKT1GSK3BDYRK1A
SCHEMBL12802247 0.74 GPR119 (0.38) KITAKT1GSK3BDYRK1ARET
SCHEMBL2391676 0.73 AKT1 (0.36) KITAKT1GSK3BDYRK1A
SCHEMBL5519762 0.73 DGAT1 (0.41) KITAKT1ALDH1A1
SCHEMBL12940484 0.73 BACE1 (0.38) AKT1MCHR1SYKPIK3CAABL1
SCHEMBL32683637 0.73 OPRM1 (0.43) KITAKT1
SCHEMBL12802718 0.72 ROCK2 (0.39) KITAKT1GSK3BDYRK1ASYK

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 EP disclosed
EP-2445909-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2013-11-13 EP disclosed
US-8575360-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 US disclosed
US-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 US disclosed
US-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 US disclosed
US-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-04 US disclosed
EP-2445909-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2012-05-02 EP disclosed
WO-2010141273-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 WO disclosed
WO-2010141273-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 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-20120252817-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES ARG1, COL14A1, HPGDS KIT 776/4885AKT1 4478/4885MCHR1 4383/4885

“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.