SCHEMBL1082292

SCHEMBL1082292

C[Si](C)(C)CCOCn1c(=O)oc2c(I)cc([N+](=O)[O-])cc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
IDO1 P14902 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP1A2 P05177 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
SCHEMBL13623297 0.75 HTT (0.39) MEN1LMNAHTTKMT2AIDO1
SCHEMBL13670007 0.74 MEN1 (0.38) MEN1LMNAHTTKMT2AIDO1
SCHEMBL4361011 0.74 MEN1 (0.40) MEN1LMNAHTTKMT2A
SCHEMBL936889 0.73 HTT (0.36) MEN1LMNAHTTKMT2ANPC1
SCHEMBL4357169 0.72 MEN1 (0.33) MEN1LMNAKMT2ANPC1
SCHEMBL4357175 0.72 MEN1 (0.33) MEN1LMNAKMT2ANPC1
SCHEMBL25304090 0.71 NPC1 (0.36) LMNAHTTKMT2ANPC1IDO1
SCHEMBL948904 0.70 NPC1 (0.36) LMNAHTTNPC1
SCHEMBL30284921 0.70 CNR2 (0.38) MEN1LMNAHTTKMT2ANPC1
SCHEMBL2144335 0.70 CNR2 (0.38) MEN1LMNAHTTKMT2ANPC1

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MEN1 1321/4885LMNA 4393/4885HTT 2476/4885

“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.