SCHEMBL13622661

SCHEMBL13622661

N#Cc1c(Cl)cccc1N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.48
JAK2 O60674 5/20 0.38
JAK1 P23458 5/20 0.38
JAK3 P52333 5/20 0.38
TYK2 P29597 4/20 0.38
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
DEGS1 O15121 2/20 0.31
STK4 Q13043 1/20 0.31
STK3 Q13188 1/20 0.31
STK26 Q9P289 1/20 0.31
STK24 Q9Y6E0 1/20 0.31
USP30 Q70CQ3 1/20 0.30

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 SCHEMBL4362872 0.96 ALK (0.45) ALKJAK2JAK1JAK3TYK2
SCHEMBL1074548 0.94 ALK (0.47) ALKJAK2JAK1JAK3TYK2
SCHEMBL1075790 0.94 ALK (0.48) ALKJAK2JAK1JAK3TYK2
SCHEMBL4357184 0.93 ALK (0.46) ALKJAK2JAK1JAK3TYK2
SCHEMBL1076402 0.93 ALK (0.47) ALKJAK2JAK1JAK3TYK2
SCHEMBL4358780 0.93 ALK (0.45) ALKJAK2JAK1JAK3TYK2
SCHEMBL1073366 0.92 ALK (0.48) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633165 0.91 ALK (0.48) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4364735 0.91 ALK (0.44) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4361895 0.90 ALK (0.43) 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
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

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.