SCHEMBL14782856

SCHEMBL14782856

CC(C)(C)OC(=O)N1CCC(c2nc(Br)cn2CCN2CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
GPR119 Q8TDV5 1/20 0.39
TRPV3 Q8NET8 2/20 0.39
RPS6KB1 P23443 2/20 0.39
AKT1 P31749 2/20 0.39
HPGD P15428 1/20 0.39
HPGDS O60760 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1662356 0.98 TP53 (0.43) THRBKDM4EMAPTTP53LMNA
SCHEMBL2063726 0.88 THRB (0.44) THRBKDM4EMAPTGPR119TRPV3
SCHEMBL1662370 0.86 TP53 (0.43) THRBKDM4EMAPTTP53LMNA
SCHEMBL2063417 0.86 THRB (0.42) THRBKDM4EMAPTGPR119TRPV3
SCHEMBL16457484 0.86 TP53 (0.45) THRBKDM4EMAPTTP53LMNA
SCHEMBL16457354 0.85 TP53 (0.43) THRBKDM4EMAPTTP53LMNA
SCHEMBL9894068 0.85 TP53 (0.44) THRBKDM4EMAPTTP53LMNA
SCHEMBL16457724 0.85 TP53 (0.43) THRBKDM4EMAPTTP53LMNA
SCHEMBL16457314 0.85 RPS6KB1 (0.47) THRBKDM4EMAPTTP53LMNA
SCHEMBL16457394 0.84 RPS6KB1 (0.50) THRBKDM4EMAPTTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
EP-2755965-B1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
EP-2755965-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-07-23 EP disclosed
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO disclosed
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 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-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 THRB 922/4885KDM4E 705/4885MAPT 2183/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 THRB 922/4885KDM4E 705/4885MAPT 2183/4885

“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.