SCHEMBL22693170

SCHEMBL22693170

C#C/C=C(C(\C#N)=C/C)/N1CCC(Nc2cc(C(=O)N3CCN(c4cccnc4S(N)(=O)=O)CC3)c(C)cc2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.54
RPTOR Q8N122 7/20 0.54
MLST8 Q9BVC4 7/20 0.54
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
GPR6 P46095 5/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ATM Q13315 1/20 0.32
NPC1 O15118 2/20 0.32
FASN P49327 2/20 0.31
PAK1 Q13153 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22693236 0.89 MTOR (0.51) MTORRPTORMLST8CA12CA1
SCHEMBL22693184 0.85 MTOR (0.45) MTORRPTORMLST8GPR6KDM4E
SCHEMBL22693225 0.85 MTOR (0.54) MTORRPTORMLST8CA12CA1
SCHEMBL22693232 0.85 MTOR (0.47) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22693180 0.84 MTOR (0.56) MTORRPTORMLST8CA12CA1
SCHEMBL22693168 0.84 MTOR (0.49) MTORRPTORMLST8CA12CA1
SCHEMBL22693159 0.84 MTOR (0.51) MTORRPTORMLST8CA12CA1
SCHEMBL20129697 0.83 MTOR (0.75) MTORRPTORMLST8CA12CA1
SCHEMBL22693188 0.83 MTOR (0.49) MTORRPTORMLST8CA12CA1
SCHEMBL22693268 0.82 MTOR (0.49) MTORRPTORMLST8ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 7/4885

“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.