SCHEMBL13307448

SCHEMBL13307448

COc1ccnc(NCCC#CCNC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)n1

nearest known ligand 0.94

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 14/20 0.94
▸ MAPT P10636 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 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
SCHEMBL13306406 0.97 PDPK1 (1.00) PDPK1MAPTPOLBTP53RXFP1
SCHEMBL13333276 0.91 PDPK1 (0.98) PDPK1MAPTPOLBTP53RXFP1
SCHEMBL13306404 0.90 PDPK1 (1.00) PDPK1MAPTPOLBTP53RXFP1
SCHEMBL13306436 0.89 PDPK1 (0.80) PDPK1
SCHEMBL13306410 0.88 PDPK1 (1.00) PDPK1MAPTPOLBTP53RXFP1
SCHEMBL13307444 0.88 PDPK1 (0.85) PDPK1MAPTPOLBTP53
SCHEMBL13307440 0.88 PDPK1 (0.83) PDPK1MAPTMEN1KMT2AKDM4E
SCHEMBL19788438 0.86 PDPK1 (0.71) PDPK1
SCHEMBL13307450 0.86 PDPK1 (0.83) PDPK1
SCHEMBL19788416 0.85 PDPK1 (0.82) PDPK1MAPTPOLBTP53RXFP1

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 5/4885MAPT 3341/4885POLB 2784/4885

“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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