SCHEMBL25296002

SCHEMBL25296002

COCC1COCCN1C[C@H]1CN(C(=O)O)[C@H](C)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 1/20 0.39
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MAPK14 Q16539 3/20 0.37
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
LTA4H P09960 1/20 0.36
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 2/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH2 P25021 1/20 0.34

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
SCHEMBL25258061 1.00 PDK1 (0.39) PDK1PDK2PDK3PDK4VEGFA
SCHEMBL25292035 0.91 PDK1 (0.40) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL25292034 0.91 PDK1 (0.40) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL25807538 0.90 PDK1 (0.41) PDK1PDK2PDK3PDK4VEGFA
SCHEMBL25289956 0.89 PDK1 (0.41) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL25250028 0.89 PDK1 (0.41) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL13732940 0.88 LTA4H (0.43) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL13732939 0.88 LTA4H (0.43) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL25298123 0.87 PDK1 (0.40) PDK1PDK2PDK3PDK4MAPK14
SCHEMBL25250146 0.87 PDK1 (0.40) PDK1PDK2PDK3PDK4MAPK14

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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 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-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 PDK1 2407/4885PDK2 1583/4885PDK3 1732/4885

“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.