SCHEMBL13623307

SCHEMBL13623307

CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(Cl)c(n2)N3)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.51
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
GLS O94925 2/20 0.41
CYP2C9 P11712 1/20 0.39
HTR6 P50406 3/20 0.38
BCHE P06276 2/20 0.38
IRAK1 P51617 1/20 0.38
KDM1A O60341 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 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
SCHEMBL4357957 0.91 ALK (0.52) ALKFNTAFNTBCCNT1
SCHEMBL1074471 0.91 ALK (0.52) ALKFNTAFNTBCCNT1
SCHEMBL4354798 0.91 ALK (0.51) ALK
SCHEMBL13623229 0.89 ALK (0.43) ALKFNTAFNTBGLSCYP2C9
Trifluoroacetic Acid SCHEMBL4362696 0.88 ALK (0.48) ALKFNTAFNTBCCNT1
Trifluoroacetic Acid SCHEMBL1075207 0.88 ALK (0.48) ALKFNTAFNTBCCNT1
SCHEMBL1074770 0.88 ALK (0.49) ALK
SCHEMBL1074658 0.88 ALK (0.49) ALK
SCHEMBL4358516 0.87 ALK (0.48) ALK
SCHEMBL4360802 0.87 ALK (0.48) ALK

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 3 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-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 3/4885FNTA 3514/4885FNTB 2313/4885

“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.