SCHEMBL2592930

SCHEMBL2592930

C[Si](C)(C)CCOCn1ncc2cc(Br)c([N+](=O)[O-])cc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.36
DGAT1 O75907 3/20 0.34
AAK1 Q2M2I8 1/20 0.32
BRD4 O60885 1/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL28991115 0.84 BRD4 (0.39) GLSDGAT1BRD4
SCHEMBL30076388 0.84 GLS (0.34) GLSDGAT1BRD4NPC1
SCHEMBL28991142 0.84 GLS (0.34) GLSDGAT1BRD4NPC1
SCHEMBL27228422 0.84 BRD4 (0.33) GLSBRD4
SCHEMBL3516228 0.81 GLS (0.57) GLSNPC1
SCHEMBL24153548 0.81 DGAT1 (0.37) DGAT1
SCHEMBL31104178 0.80 DGAT1 (0.43) DGAT1
SCHEMBL12175756 0.79 DGAT1 (0.34) DGAT1
SCHEMBL2144638 0.79 NPC1 (0.46) GLSDGAT1BRD4NPC1
SCHEMBL30286420 0.79 DGAT1 (0.35) DGAT1

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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
EP-2563358-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) Merck Sharp & Dohme Corp. (US) 2013-03-06 EP disclosed
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 US disclosed
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 US disclosed
US-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PALIWAL SUNIL (US) 2013-02-28 US disclosed
WO-2011137219-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) SCHERING CORPORATION (US) 2011-11-03 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-20130053382-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 GLS 1020/4885DGAT1 1076/4885AAK1 351/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 GLS 781/4885DGAT1 2579/4885AAK1 89/4885

“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.