SCHEMBL2728853

SCHEMBL2728853

Cn1cc(-c2ccc(C3(NC(=O)OC(C)(C)C)CC3)nc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.54
DYRK1A Q13627 3/20 0.54
RET P07949 11/20 0.47
KDM1A O60341 1/20 0.42
USP30 Q70CQ3 2/20 0.41
WNT1 P04628 1/20 0.41
TTK P33981 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CREBBP Q92793 1/20 0.39

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
SCHEMBL2727253 0.83 GSK3B (0.46) GSK3BDYRK1ARETKDM1AUSP30
SCHEMBL2713417 0.81 GPR119 (0.43) GPR119
SCHEMBL2731868 0.81 AKT1 (0.41) GSK3BDYRK1AGPR119
SCHEMBL2712437 0.79 KIT (0.38) GSK3BDYRK1ARET
SCHEMBL27374517 0.79 GSK3B (0.53) GSK3BDYRK1ARETKDM1AWNT1
SCHEMBL31456979 0.79 GSK3B (0.53) GSK3BDYRK1ARETKDM1AWNT1
SCHEMBL12802247 0.79 GPR119 (0.38) GSK3BDYRK1ARETGPR119
SCHEMBL2726267 0.79 GPR55 (0.42) GSK3BDYRK1AWNT1CREBBP
SCHEMBL2726258 0.79 GPR55 (0.42) GSK3BDYRK1AWNT1CREBBP
SCHEMBL2729680 0.79 GPR55 (0.42) GSK3BDYRK1AWNT1CREBBP

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 GSK3B 4706/4885DYRK1A 2535/4885RET 1861/4885

“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.