SCHEMBL16247263

SCHEMBL16247263

Nc1cc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCCC3)CC2)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 1.00
AKT1 P31749 19/20 1.00
AKT2 P31751 2/20 0.72
AKT3 Q9Y243 2/20 0.72
KCNH2 Q12809 1/20 0.71

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
SCHEMBL16247274 0.99 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL16247280 0.98 RPS6KB1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14792345 0.90 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL14792025 0.88 RPS6KB1 (1.00) RPS6KB1AKT1
SCHEMBL19158850 0.88 RPS6KB1 (0.79) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL19157877 0.88 RPS6KB1 (0.78) RPS6KB1AKT1AKT2AKT3
SCHEMBL19158452 0.87 RPS6KB1 (0.79) RPS6KB1AKT1
SCHEMBL19158465 0.86 AKT1 (0.79) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14791929 0.86 AKT1 (1.00) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL14782413 0.85 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 RPS6KB1 271/4885AKT1 291/4885AKT2 383/4885
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.