SCHEMBL16987124

SCHEMBL16987124

Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Cl)CC3)n2)ccc1F

nearest known ligand 0.84

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.84
AKT1 P31749 20/20 0.84
AKT2 P31751 1/20 0.80
KCNH2 Q12809 1/20 0.80
AKT3 Q9Y243 1/20 0.80

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
SCHEMBL14792341 0.91 RPS6KB1 (1.00) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL16987146 0.91 AKT1 (0.83) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL14782567 0.91 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL16987133 0.90 RPS6KB1 (0.97) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL16247276 0.89 AKT1 (1.00) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL16247269 0.89 RPS6KB1 (0.87) RPS6KB1AKT1
SCHEMBL16987173 0.89 AKT1 (0.82) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL16998745 0.89 AKT1 (0.81) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL16247273 0.88 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL14782586 0.88 AKT1 (1.00) RPS6KB1AKT1AKT2KCNH2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434714-B2 Pyrimidine imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-09-06 US claimed
US-9434714-B2 Pyrimidine imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-09-06 US disclosed
US-9434714-B2 Pyrimidine imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-09-06 US disclosed
US-9434714-B2 Pyrimidine imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-09-06 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-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
US-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2015-08-13 US 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-20150225371-A1 Novel Pyrimidine Imidazole Amines as Modulators of Kinase Activity TK1, CHEK2, DCK RPS6KB1 336/4885AKT1 397/4885AKT2 502/4885

“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.