SCHEMBL3355071

SCHEMBL3355071

C[Si](C)(C)CCOCn1nc(C(N)=O)c2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
DGAT1 O75907 2/20 0.40
CFD P00746 5/20 0.39
ELANE P08246 8/20 0.38
PDGFRA P16234 1/20 0.36
CDK5 Q00535 1/20 0.36
TYRO3 Q06418 1/20 0.36
MAP3K14 Q99558 1/20 0.35
IDO1 P14902 1/20 0.32

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
SCHEMBL23068023 0.90 DGAT1 (0.40) NPC1DGAT1CFDELANEPDGFRA
SCHEMBL492060 0.90 ELANE (0.41) NPC1DGAT1ELANEPDGFRACDK5
SCHEMBL30379746 0.88 ELANE (0.52) NPC1DGAT1ELANEIDO1
SCHEMBL16532624 0.88 ELANE (0.52) NPC1DGAT1ELANEIDO1
SCHEMBL29790484 0.87 NPC1 (0.39) NPC1DGAT1CFDELANEPDGFRA
SCHEMBL492689 0.86 ELANE (0.55) ELANE
SCHEMBL28945073 0.84 DGAT1 (0.40) NPC1DGAT1ELANEPDGFRACDK5
SCHEMBL14699371 0.83 NPC1 (0.54) NPC1CFDELANE
SCHEMBL16025735 0.82 DGAT1 (0.39) NPC1DGAT1ELANE
SCHEMBL3355074 0.82 DGAT1 (0.43) NPC1DGAT1ELANEPDGFRACDK5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 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
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 WO 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 (2 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 NPC1 1643/4885DGAT1 1981/4885CFD 4865/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 NPC1 1765/4885DGAT1 2107/4885CFD 4792/4885

“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.