SCHEMBL13306409

SCHEMBL13306409

CC(C)(C)OC(=O)NCCC#CCCNC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
EPHX1 P07099 1/20 0.46
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTSK P43235 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
CTSS P25774 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
SCHEMBL14309043 0.93 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL19429638 0.93 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4540061 0.91 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3348304 0.91 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3966213 0.90 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL16180261 0.89 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30021709 0.87 MEN1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL22018294 0.87 TDP1 (0.49) TDP1MEN1GAAKMT2AMAOA
SCHEMBL2444514 0.86 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL15549463 0.86 TDP1 (0.47) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 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-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 TDP1 1283/4885MEN1 1555/4885GAA 3160/4885

“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.