SCHEMBL4131019

SCHEMBL4131019

C[Si](C)(C)CCOCCn1cc(C#N)nc1C(=O)O.[KH]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.34
DGAT1 O75907 2/20 0.32
BRD4 O60885 1/20 0.31
KLKB1 P03952 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
SCHEMBL2934571 0.89 DGAT1 (0.36) XDHDGAT1BRD4KLKB1
SCHEMBL1858741 0.88 DGAT1 (0.37) XDHDGAT1BRD4KLKB1
Potassium Ion SCHEMBL4131013 0.87 DGAT1 (0.32) DGAT1
SCHEMBL15640197 0.78 DGAT1 (0.36) DGAT1
Potassium Ion SCHEMBL1857290 0.76 DGAT1 (0.36) DGAT1KLKB1
SCHEMBL15471710 0.76 DGAT1 (0.39) DGAT1KLKB1
Potassium Ion SCHEMBL5942211 0.75
SCHEMBL4131020 0.75
SCHEMBL5943085 0.74 L3MBTL1 (0.34)
SCHEMBL1857062 0.74 DGAT1 (0.38) DGAT1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557847-B2 Synergistic modulation of FLT3 kinase using a FLT3 inhibitor and a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA, N.V. (BE) 2013-10-15 US disclosed
US-20090197913-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR BAUMANN CHRISTIAN ANDREW 2009-08-06 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-20090197913-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING A FLT3 INHIBITOR AND A FARNESYL TRANSFERASE INHIBITOR FLT3, MCL1, CSF1R XDH 1271/4885DGAT1 2293/4885BRD4 1772/4885

“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.