SCHEMBL14786368

SCHEMBL14786368

Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2cc(N)ncn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 1.00
AKT1 P31749 15/20 0.75
AKT2 P31751 6/20 0.69
AKT3 Q9Y243 6/20 0.69
KCNH2 Q12809 3/20 0.69
CYP2B6 P20813 1/20 0.69

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
SCHEMBL19158452 0.87 RPS6KB1 (0.79) RPS6KB1AKT1
SCHEMBL16247274 0.86 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL16247280 0.86 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL16247263 0.85 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19158760 0.83 RPS6KB1 (0.81) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14782365 0.83 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14786421 0.83 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14782531 0.82 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19157949 0.82 RPS6KB1 (0.86) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14782278 0.82 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2

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 18 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
EP-3105224-A1 PYRIMIDINE IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2016-12-21 EP disclosed
US-9434714-B2 Pyrimidine imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-09-06 US 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-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-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
WO-2015123174-A1 PYRIMIDINE IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2015-08-20 WO disclosed
US-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2015-08-13 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
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 (3 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 RPS6KB1 271/4885AKT1 291/4885AKT2 383/4885
US-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity TK1, CHEK2, DCK RPS6KB1 336/4885AKT1 397/4885AKT2 502/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 RPS6KB1 271/4885AKT1 291/4885AKT2 383/4885

“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.