SCHEMBL20141296

SCHEMBL20141296

COC(=O)c1cc(NC2CCN(c3ccccc3C#N)CC2)c(Br)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.53
RPTOR Q8N122 7/20 0.53
MLST8 Q9BVC4 7/20 0.53
DRD4 P21917 4/20 0.44
DRD3 P35462 3/20 0.42
BDKRB1 P46663 1/20 0.40
DRD2 P14416 2/20 0.40
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
GRM5 P41594 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL20133548 0.93 MTOR (0.56) MTORRPTORMLST8DRD4DRD3
SCHEMBL20129666 0.91 MTOR (0.62) MTORRPTORMLST8DRD4DRD3
SCHEMBL20141193 0.90 MTOR (0.55) MTORRPTORMLST8DRD4DRD3
SCHEMBL20133693 0.89 MTOR (0.54) MTORRPTORMLST8DRD4DRD3
SCHEMBL20133701 0.89 MTOR (0.61) MTORRPTORMLST8DRD4DRD3
SCHEMBL20133723 0.86 MTOR (0.55) MTORRPTORMLST8DRD4DRD3
SCHEMBL20133856 0.85 MTOR (0.56) MTORRPTORMLST8DRD4DRD3
SCHEMBL20129693 0.85 MTOR (0.61) MTORRPTORMLST8BDKRB1KDM4E
SCHEMBL20141071 0.83 MTOR (0.53) MTORRPTORMLST8DRD4DRD3
SCHEMBL20140966 0.83 MTOR (0.47) MTORRPTORMLST8DRD4DRD3

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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO 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-10414727-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.