SCHEMBL1073262

SCHEMBL1073262

N#Cc1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.48
FASN P49327 6/20 0.39
CCNK O75909 2/20 0.38
CDK12 Q9NYV4 2/20 0.38
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 2/20 0.36
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36
MNAT1 P51948 2/20 0.36
KCNH2 Q12809 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
STK26 Q9P289 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 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
Trifluoroacetic Acid SCHEMBL4362708 0.96 ALK (0.45) ALKFASNCCNKCDK12FNTA
SCHEMBL13633062 0.92 FASN (0.43) ALKFASNCCNKCDK12CCNA2
SCHEMBL1075511 0.92 ALK (0.50) ALKCCNA2CDK2CDK7CCNH
SCHEMBL1074561 0.92 ALK (0.50) ALKCCNA2CDK2CDK7CCNH
SCHEMBL1076125 0.91 ALK (0.49) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4358255 0.88 ALK (0.47) ALKCCNA2CDK2CDK7CCNH
Trifluoroacetic Acid SCHEMBL4364663 0.88 ALK (0.47) ALKCCNA2CDK2CDK7CCNH
SCHEMBL1074578 0.88 ALK (0.48) ALKSTK4STK3STK26STK24
SCHEMBL1074407 0.88 ALK (0.51) ALKFASNSTK4STK3STK26
SCHEMBL1074774 0.88 ALK (0.55) 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 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 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
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 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 3/4885FASN 1605/4885CCNK 468/4885

“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.