SCHEMBL13633100

SCHEMBL13633100

CC(=O)N1CCC[C@H](CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(C)c(n2)N3)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
ALK Q9UM73 3/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
BRD4 O60885 6/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CCNT1 O60563 2/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL13633101 1.00 JAK2 (0.36) JAK2ALKFNTAFNTBJAK1
SCHEMBL13633107 0.96 ALK (0.36) JAK2ALKJAK1TYK2JAK3
SCHEMBL1073119 0.93 ALK (0.43) JAK2ALKFNTAFNTBJAK1
SCHEMBL1076992 0.93 ALK (0.43) JAK2ALKFNTAFNTBJAK1
SCHEMBL13633250 0.92 JAK2 (0.43) JAK2ALKFNTAFNTBJAK1
SCHEMBL13633091 0.90 MAPT (0.37) JAK2ALKJAK1TYK2JAK3
SCHEMBL13634149 0.90 MAPT (0.37) JAK2ALKJAK1TYK2JAK3
SCHEMBL13633015 0.89 ALK (0.36) JAK2ALKFNTAFNTBJAK1
Trifluoroacetic Acid SCHEMBL4361351 0.89 ALK (0.40) JAK2ALKFNTAFNTBJAK1
Trifluoroacetic Acid SCHEMBL4365714 0.89 ALK (0.40) JAK2ALKFNTAFNTBJAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JAK2 1/4885ALK 3/4885FNTA 3514/4885

“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.