SCHEMBL1075586

SCHEMBL1075586

O=C(O)N1CC[C@H](NCc2ccc3cc2CCc2cccc(c2)Nc2ncc(Cl)c(n2)N3)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.53
JAK2 O60674 11/20 0.41
JAK1 P23458 11/20 0.41
JAK3 P52333 11/20 0.41
TYK2 P29597 9/20 0.41
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
STK26 Q9P289 1/20 0.39
STK24 Q9Y6E0 1/20 0.39

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
SCHEMBL1075924 1.00 ALK (0.53) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL1074431 0.96 ALK (0.49) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4364516 0.96 ALK (0.49) ALKJAK2JAK1JAK3TYK2
SCHEMBL13622895 0.90 ALK (0.53) ALKJAK2JAK1JAK3TYK2
SCHEMBL13622894 0.90 ALK (0.53) ALKJAK2JAK1JAK3TYK2
SCHEMBL4361337 0.84 ALK (0.53) ALKJAK2JAK1JAK3TYK2
SCHEMBL1073204 0.84 ALK (0.53) ALKJAK2JAK1JAK3TYK2
SCHEMBL4356272 0.83 ALK (0.59) ALKJAK2JAK1JAK3TYK2
SCHEMBL1073530 0.83 ALK (0.53) ALKJAK2JAK1JAK3TYK2
SCHEMBL1073885 0.83 ALK (0.53) ALKJAK2JAK1JAK3TYK2

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 claimed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO claimed

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 3/4885JAK2 1/4885JAK1 2/4885

“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.