SCHEMBL13307445

SCHEMBL13307445

COc1ccnc(NCCC#CCCNC(=O)c2cc(Cl)cn(Cc3cccc(C)c3)c2=O)n1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 11/20 0.83
▸ ADRA1D P25100 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ HCRTR2 O43614 2/20 0.40
▸ KLKB1 P03952 3/20 0.38
▸ P2RX7 Q99572 1/20 0.37

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
SCHEMBL13307444 0.94 PDPK1 (0.85) PDPK1BRD4KLKB1
SCHEMBL13307442 0.91 PDPK1 (1.00) PDPK1BRD4KLKB1
SCHEMBL13333000 0.87 PDPK1 (0.79) PDPK1BRD4KLKB1
SCHEMBL19787940 0.85 PDPK1 (0.75) PDPK1BRD4
SCHEMBL13306406 0.85 PDPK1 (1.00) PDPK1
SCHEMBL13307439 0.83 PDPK1 (0.83) PDPK1BRD4
SCHEMBL19787937 0.82 PDPK1 (0.67) PDPK1ADRA1D
SCHEMBL13307448 0.82 PDPK1 (0.94) PDPK1
SCHEMBL13307437 0.81 PDPK1 (1.00) PDPK1KLKB1
SCHEMBL13306532 0.80 PDPK1 (0.82) PDPK1ADRA1DBRD4

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-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 5/4885ADRA1D 4492/4885BRD4 305/4885

“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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