SCHEMBL4361006

SCHEMBL4361006

CC(C)(C)OC(=O)N1CCCC(NC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(Cl)c(n2)N3)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.51
USP30 Q70CQ3 4/20 0.45
PARP1 P09874 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ANO1 Q5XXA6 2/20 0.39
CXCR2 P25025 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 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 0.96 ALK (0.52) ALKUSP30PARP1HDAC4HDAC6
SCHEMBL13622880 0.96 ALK (0.52) ALKUSP30PARP1HDAC4HDAC6
SCHEMBL4366729 0.92 ALK (0.54) ALKPARP1JAK2JAK3JAK1
SCHEMBL1073175 0.90 ALK (0.51) ALKJAK2JAK3JAK1TYK2
SCHEMBL13622777 0.89 ALK (0.44) ALKUSP30PARP1HDAC4HDAC6
SCHEMBL1074774 0.88 ALK (0.55) ALKJAK2JAK3JAK1TYK2
SCHEMBL1075456 0.88 ALK (0.55) ALKJAK2JAK3JAK1TYK2
SCHEMBL13623307 0.87 ALK (0.51) ALK
SCHEMBL1073204 0.86 ALK (0.53) ALKJAK2JAK3JAK1TYK2
SCHEMBL4361337 0.86 ALK (0.53) ALKJAK2JAK3JAK1TYK2

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 6 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
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
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 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.