SCHEMBL13623297

SCHEMBL13623297

COC(=O)Cn1c(=O)oc2c(I)cc([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL13670007 0.87 MEN1 (0.38) HTTLMNAMEN1KMT2AMAPT
SCHEMBL4361011 0.85 MEN1 (0.40) HTTLMNAMEN1KMT2ACDYL2
SCHEMBL13669807 0.82 ALDH1A1 (0.40) MEN1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL14875948 0.76 TP53 (0.47) MEN1KMT2ACDYL2CDYLCDY1; CDY1B
SCHEMBL1082292 0.75 MEN1 (0.35) HTTLMNAMEN1KMT2AIDO1
SCHEMBL1073851 0.71 MEN1 (0.41) HTTLMNAMEN1KMT2AMAPT
SCHEMBL13623298 0.70 SIRT2 (0.38) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL23580043 0.65 MAPT (0.56) HTTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8111009 0.65 KDM4E (0.52) HTTLMNAMEN1KMT2AKDM4E
SCHEMBL11135042 0.65 IDO1 (0.51) MEN1KMT2ASMN1; SMN2MAPTCDYL2

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 4 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-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

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 HTT 2476/4885LMNA 4393/4885MEN1 1321/4885

“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.