SCHEMBL22693180

SCHEMBL22693180

C#C/C=C(C(\C#N)=C/C)/N1CCC(Nc2cc(C(=O)N3CCN(c4ccccc4S(C)(=N)=O)CC3)c(C)cc2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.56
RPTOR Q8N122 7/20 0.56
MLST8 Q9BVC4 7/20 0.56
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 2/20 0.34
EED O75530 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GFER P55789 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDK2 Q15119 1/20 0.32
CCR8 P51685 1/20 0.32

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 0.93 MTOR (0.51) MTORRPTORMLST8CA12CA1
SCHEMBL22693266 0.89 MTOR (0.71) MTORRPTORMLST8LMNAALDH1A1
SCHEMBL22693159 0.88 MTOR (0.51) MTORRPTORMLST8CA12CA1
SCHEMBL22693225 0.87 MTOR (0.54) MTORRPTORMLST8CA12CA1
SCHEMBL22693188 0.86 MTOR (0.49) MTORRPTORMLST8CA12CA1
SCHEMBL22693268 0.86 MTOR (0.49) MTORRPTORMLST8CYP2C9CYP2C19
SCHEMBL22693184 0.85 MTOR (0.45) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL22693170 0.84 MTOR (0.54) MTORRPTORMLST8CA12CA1
SCHEMBL22693224 0.84 MTOR (0.43) MTORRPTORMLST8CA12CA1
SCHEMBL21340087 0.83 MTOR (0.78) MTORRPTORMLST8KDM4EEED

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.