SCHEMBL13622880

SCHEMBL13622880

CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(Cl)c(n2)N3)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.52
USP30 Q70CQ3 7/20 0.41
PARP1 P09874 1/20 0.39
CCNT1 O60563 1/20 0.39
MAPK8 P45983 1/20 0.38
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
STK26 Q9P289 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL13622879 1.00 ALK (0.52) ALKUSP30PARP1CCNT1MAPK8
SCHEMBL4361006 0.96 ALK (0.51) ALKUSP30PARP1HDAC4HDAC6
SCHEMBL4366729 0.96 ALK (0.54) ALKPARP1CCNT1STK4STK3
SCHEMBL13622777 0.93 ALK (0.44) ALKUSP30PARP1CCNT1MAPK8
SCHEMBL1075456 0.92 ALK (0.55) ALKSTK4STK3STK26STK24
SCHEMBL1074774 0.92 ALK (0.55) ALKSTK4STK3STK26STK24
SCHEMBL4361337 0.90 ALK (0.53) ALKSTK4STK3STK26STK24
SCHEMBL1073204 0.90 ALK (0.53) ALKSTK4STK3STK26STK24
SCHEMBL4361115 0.90 ALK (0.53) ALKSTK4STK3STK26STK24
SCHEMBL4363053 0.89 ALK (0.52) ALKSTK4STK3STK26STK24

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 5 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
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 ALK 3/4885USP30 1344/4885PARP1 1427/4885

“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.