SCHEMBL4356658

SCHEMBL4356658

CC(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.44
JAK3 P52333 4/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 1/20 0.41
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CCNT1 O60563 3/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
BCL6 P41182 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
STK4 Q13043 1/20 0.30
STK3 Q13188 1/20 0.30
STK26 Q9P289 1/20 0.30
STK24 Q9Y6E0 1/20 0.30
CDK9 P50750 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
SCHEMBL1073119 0.96 ALK (0.43) ALKJAK3JAK2JAK1TYK2
SCHEMBL1076992 0.96 ALK (0.43) ALKJAK3JAK2JAK1TYK2
SCHEMBL1075422 0.96 ALK (0.45) ALKJAK3JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356121 0.95 ALK (0.41) ALKJAK3JAK2JAK1TYK2
SCHEMBL4356140 0.93 ALK (0.43) ALKJAK3JAK2JAK1TYK2
SCHEMBL1076059 0.93 ALK (0.43) ALKJAK3JAK2JAK1TYK2
SCHEMBL13633107 0.93 ALK (0.36) ALKJAK3JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4361351 0.91 ALK (0.40) ALKJAK3JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4365714 0.91 ALK (0.40) ALKJAK3JAK2JAK1TYK2
SCHEMBL13623229 0.91 ALK (0.43) ALKJAK3JAK2JAK1TYK2

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 5 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 3/4885JAK3 4/4885JAK2 1/4885

“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.