SCHEMBL13633236

SCHEMBL13633236

Cc1nc(CC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(C)c(n2)N3)c(C)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.42
JAK2 O60674 9/20 0.40
ACKR3 P25106 1/20 0.34
NTRK1 P04629 1/20 0.33
JAK1 P23458 8/20 0.32
TYK2 P29597 8/20 0.32
JAK3 P52333 8/20 0.32
STK26 Q9P289 2/20 0.32
STK24 Q9Y6E0 2/20 0.32
ADRB3 P13945 1/20 0.32
STK4 Q13043 1/20 0.31
STK3 Q13188 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1078069 0.92 ALK (0.52) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633080 0.89 ALK (0.42) ALKJAK2ACKR3NTRK1JAK1
Trifluoroacetic Acid SCHEMBL4356538 0.88 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633233 0.86 MAPT (0.46) ALKJAK2NTRK1
SCHEMBL13633131 0.85 ALK (0.43) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633235 0.85 ALK (0.44) ALKJAK2CYP1A2CYP2C19
SCHEMBL13633079 0.85 ALK (0.44) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634016 0.83 JAK2 (0.43) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633061 0.83 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL13634101 0.83 SMN1; SMN2 (0.49) ALKJAK2

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 1/4885ACKR3 459/4885

“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.