SCHEMBL23169306

SCHEMBL23169306

CC(F)(F)C(=O)NC1COC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
PKM P14618 1/20 0.38
NSD2 O96028 2/20 0.33
ALDH1A1 P00352 1/20 0.33
IDH2 P48735 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
GAA P10253 2/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL24700940 0.84 PDK1 (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL12208867 0.83 ALDH1A1 (0.46) PDK1PDK2PDK3PDK4PKM
SCHEMBL25676636 0.81 PDK1 (0.39) PDK1PDK2PDK3PDK4PKM
SCHEMBL21207665 0.76 CCR2 (0.42) PDK1PDK2PDK3PDK4
SCHEMBL10172721 0.75 PDK1 (0.70) PDK1PDK2PDK3PDK4PKM
SCHEMBL25676313 0.73 EPHX1 (0.50) PDK1PDK2PDK3PDK4PKM
SCHEMBL25676344 0.73 EPHX1 (0.50) PDK1PDK2PDK3PDK4PKM
SCHEMBL25145131 0.72 PKM (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL25676086 0.72 EPHX1 (0.58) PDK1PDK2PDK3PDK4PKM
SCHEMBL20377683 0.71 GAA (0.56) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167100-A1 QUINOLINE COMPOUNDS AND COMPOSITIONS FOR INHIBITING EZH2 NOVARTIS AG (CH) 2023-06-01 US disclosed
US-20230167100-A1 QUINOLINE COMPOUNDS AND COMPOSITIONS FOR INHIBITING EZH2 NOVARTIS AG (CH) 2023-06-01 US disclosed
US-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-09-08 US disclosed
WO-2021057853-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2021-04-01 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 (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-20230167100-A1 QUINOLINE COMPOUNDS AND COMPOSITIONS FOR INHIBITING EZH2 EZH2, BMI1, SUZ12 PDK1 474/4885PDK2 443/4885PDK3 850/4885
US-20220280509-A1 AZA-QUINOLINE COMPOUNDS AND USES THEREOF EZH2, BMI1, EED PDK1 397/4885PDK2 344/4885PDK3 810/4885

“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.