SCHEMBL1026372

SCHEMBL1026372

CC(C)(C)OC(=O)Nc1cccc(C#Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OCC[Si](C)(C)C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
KDR P35968 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PDGFRB P09619 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13623216 0.84 ALDH1A1 (0.52) LMNAALDH1A1MAPTKMT2APOLB
SCHEMBL13623213 0.84 MAPT (0.46) LMNAALDH1A1MAPTSIRT2SMN1; SMN2
SCHEMBL1028056 0.80 MMP1 (0.37) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL1028055 0.80 MMP1 (0.37) ALDH1A1MMP1MMP2MMP9MMP8
SCHEMBL13623226 0.78 SIRT2 (0.40) LMNAALDH1A1MAPTMMP1MMP2
SCHEMBL4367036 0.77 SIRT2 (0.40) LMNAALDH1A1MAPTSIRT2KMT2A
SCHEMBL4367032 0.77 SIRT2 (0.40) LMNAALDH1A1MAPTSIRT2KMT2A
SCHEMBL13622511 0.76 MMP1 (0.45) LMNAALDH1A1MAPTMMP1MMP2
SCHEMBL13622531 0.75 MEN1 (0.47) LMNAALDH1A1MAPTMMP1MMP2
SCHEMBL1025393 0.73 MEN1 (0.43) LMNAALDH1A1MAPTMMP1MMP2

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
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
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 LMNA 4393/4885ALDH1A1 2511/4885MAPT 3239/4885

“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.