SCHEMBL6358347

SCHEMBL6358347

CC(C)(O)C(=O)Nc1ccc(Sc2ccc(N)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 16/20 0.49
PDK2 Q15119 16/20 0.49
PDK3 Q15120 16/20 0.49
PDK4 Q16654 16/20 0.49
PDE7A Q13946 1/20 0.45
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL6349847 0.84 MEN1 (0.54) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6359559 0.84 PDE7A (0.40) PDK1PDK2PDK3PDK4PDE7A
SCHEMBL6345950 0.83 PDK1 (0.49) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6351405 0.80 PDK1 (0.44) PDK1PDK2PDK3PDK4PDE7A
SCHEMBL6351400 0.80 PDK1 (0.44) PDK1PDK2PDK3PDK4PDE7A
SCHEMBL4608056 0.77 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL4608061 0.77 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL6571242 0.77 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL6571247 0.77 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL4609576 0.77 PDK1 (0.45) PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101417964-A Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2009-04-29 CN disclosed
US-6960688-B2 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2005-11-01 US disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity ZENECA LIMITED 2004-01-15 US disclosed
US-6498275-B1 Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-24 US disclosed
EP-1082110-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999062506-A1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-12-09 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-20040009979-A1 Use of compounds for the elevation of pyruvate dehydrogenase activity PDHA1, PDK1, PDHB PDK1 2/4885PDK2 8/4885PDK3 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.