SCHEMBL16247261

SCHEMBL16247261

Cc1cc(-c2cn(CCN3CC(F)C3)c(C3CCNCC3)n2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.53
RPS6KB1 P23443 19/20 0.53

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
SCHEMBL14782469 0.89 AKT1 (0.64) AKT1RPS6KB1
Hydrochloric Acid SCHEMBL16987184 0.88 AKT1 (0.63) AKT1RPS6KB1
Hydrochloric Acid SCHEMBL16987182 0.88 AKT1 (0.63) AKT1RPS6KB1
Hydrochloric Acid SCHEMBL16987140 0.88 AKT1 (0.63) AKT1RPS6KB1
SCHEMBL14782582 0.87 AKT1 (0.63) AKT1RPS6KB1
SCHEMBL14782637 0.86 RPS6KB1 (0.59) AKT1RPS6KB1
Hydrochloric Acid SCHEMBL14782585 0.85 RPS6KB1 (0.58) AKT1RPS6KB1
SCHEMBL15719613 0.84 AKT1 (0.61) AKT1RPS6KB1
SCHEMBL16987132 0.83 AKT1 (0.62) AKT1RPS6KB1
SCHEMBL14782515 0.82 RPS6KB1 (0.48) AKT1RPS6KB1

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 3 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-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

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 AKT1 291/4885RPS6KB1 271/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 AKT1 291/4885RPS6KB1 271/4885

“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.