SCHEMBL13307447

SCHEMBL13307447

COc1ccnc(NCCCCCCNC(=O)c2cccn(Cc3cccc(F)c3)c2=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 13/20 1.00
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PTGER3 P43115 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MET P08581 1/20 0.44
▸ AXL P30530 1/20 0.44

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
SCHEMBL13306404 0.91 PDPK1 (1.00) PDPK1KDM4EPTGER3MAPT
SCHEMBL13307237 0.91 PDPK1 (1.00) PDPK1
SCHEMBL13333276 0.90 PDPK1 (0.98) PDPK1KDM4EPTGER3MAPT
SCHEMBL13307460 0.90 PDPK1 (0.87) PDPK1
SCHEMBL13307456 0.88 PDPK1 (1.00) PDPK1MAPT
SCHEMBL13307439 0.88 PDPK1 (0.83) PDPK1
SCHEMBL19787938 0.88 PDPK1 (1.00) PDPK1
SCHEMBL13333051 0.88 PDPK1 (0.95) PDPK1
SCHEMBL13306413 0.87 PDPK1 (1.00) PDPK1KDM4EALDH1A1MAPT
SCHEMBL13306410 0.83 PDPK1 (1.00) PDPK1KDM4EMAPT

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
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 — — US 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 PDPK1 5/4885KDM4E 599/4885ALDH1A1 1905/4885

“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.

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