SCHEMBL13307444

SCHEMBL13307444

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

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 12/20 0.85
▸ CASR P41180 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ FSCN1 Q16658 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ KLKB1 P03952 1/20 0.38

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
SCHEMBL13307445 0.94 PDPK1 (0.83) PDPK1BRD4KLKB1
SCHEMBL13333000 0.93 PDPK1 (0.79) PDPK1CASRPDE10AMAPTPOLB
SCHEMBL13307442 0.92 PDPK1 (1.00) PDPK1MAPTPOLBBRD4KLKB1
SCHEMBL13306406 0.91 PDPK1 (1.00) PDPK1MAPTPOLBTP53
SCHEMBL19787937 0.88 PDPK1 (0.67) PDPK1PDE10AMAPTFSCN1TP53
SCHEMBL13307448 0.88 PDPK1 (0.94) PDPK1MAPTPOLBTP53
SCHEMBL19787940 0.86 PDPK1 (0.75) PDPK1PDE10AMAPTFSCN1BRD4
SCHEMBL13307439 0.85 PDPK1 (0.83) PDPK1PDE10AFSCN1BRD4
SCHEMBL13307437 0.84 PDPK1 (1.00) PDPK1KLKB1
SCHEMBL13306532 0.83 PDPK1 (0.82) PDPK1PDE10ABRD4

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 3 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

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 5/4885CASR 3324/4885PDE10A 2244/4885

“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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