SCHEMBL17023907

SCHEMBL17023907

CN(C)CCn1cc(-c2cccnc2)nc1C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.45
TLR8 Q9NR97 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
RPS6KB1 P23443 13/20 0.39
AKT1 P31749 13/20 0.39
ACVR1 Q04771 1/20 0.39
PLAT P00750 1/20 0.39
RPS6KA1 Q15418 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
AKT2 P31751 3/20 0.38
KCNH2 Q12809 3/20 0.38
AKT3 Q9Y243 3/20 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
SCHEMBL15719892 0.88 RPS6KB1 (0.41) GABRA1RPS6KB1AKT1RPS6KA1AKT2
Hydrochloric Acid SCHEMBL11904052 0.87 RPS6KB1 (0.41) TLR8GABRA1RPS6KB1AKT1RPS6KA1
SCHEMBL17401012 0.83 CHRNA7 (0.46) HTR1DTLR8RPS6KB1AKT1AKT2
SCHEMBL15720179 0.83 GABRA1 (0.44) TLR8GABRA1RPS6KB1AKT1RPS6KA1
SCHEMBL15720777 0.82 RPS6KB1 (0.45) GABRA1RPS6KB1AKT1RPS6KA1AKT2
SCHEMBL15720111 0.82 RPS6KB1 (0.46) TLR8RPS6KB1AKT1RPS6KA1AKT2
SCHEMBL15720541 0.81 RPS6KB1 (0.49) RPS6KB1AKT1RPS6KA1MKNK1MKNK2
Hydrochloric Acid SCHEMBL11903905 0.81 RPS6KB1 (0.46) TLR8RPS6KB1AKT1RPS6KA1AKT2
Hydrochloric Acid SCHEMBL2063000 0.81 RPS6KB1 (0.43) TLR8RPS6KB1AKT1RPS6KA1AKT2
Hydrochloric Acid SCHEMBL11904218 0.81 RPS6KB1 (0.49) RPS6KB1AKT1RPS6KA1AKT2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299362-B1 IMIDAZOL-PIPERIDINYL DERIVATIVES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2020-04-22 EP disclosed
EP-3299362-A1 IMIDAZOL-PIPERIDINYL DERIVATIVES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2018-03-28 EP disclosed
US-9315517-B2 Imidazol-piperidinyl derivatives as modulators of kinase activity MERCK PATENT GMBH (DE) 2016-04-19 US disclosed
EP-2920154-A1 NOVEL IMIDAZOL-PIPERIDINYL DERIVATIVES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2015-09-23 EP disclosed
US-20150239902-A1 Novel Imidazol-piperidinyl Derivatives as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2015-08-27 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-20150239902-A1 Novel Imidazol-piperidinyl Derivatives as Modulators of Kinase Activity MAP4K2, MAP4K3, MAP3K4 HTR1D 2492/4885TLR8 2972/4885GABRA1 3198/4885

“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.