SCHEMBL13633113

SCHEMBL13633113

COc1cccc(N2CCC(CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(C)c(n3)N4)CC2)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.39
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
KCNT1 Q5JUK3 1/20 0.31
ENPP1 P22413 1/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
EGFR P00533 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
SCHEMBL13634105 0.88 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634104 0.86 TP53 (0.41) ALKJAK2ALDH1A1TSHR
SCHEMBL13633165 0.86 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633170 0.85 JAK2 (0.38) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076402 0.85 ALK (0.47) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633169 0.84 ALK (0.37) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633167 0.84 ALK (0.47) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633110 0.84 ALK (0.38) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634063 0.84 ALK (0.38) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632938 0.84 CCR3 (0.39) ALKALDH1A1TSHR

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 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.