SCHEMBL13633019

SCHEMBL13633019

Cc1cnc2nc1Nc1ccc(NC(=O)Nc3ccccc3-c3ccccc3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.44
NTRK1 P04629 4/20 0.42
JAK2 O60674 6/20 0.40
JAK1 P23458 5/20 0.40
JAK3 P52333 5/20 0.40
TYK2 P29597 4/20 0.40
RET P07949 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
IGF1R P08069 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NTRK3 Q16288 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
KMT2A Q03164 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33

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 SCHEMBL4357363 0.86 ALK (0.49) ALKJAK2JAK1JAK3TYK2
SCHEMBL13632896 0.86 ALK (0.44) ALKNTRK1JAK2JAK1JAK3
SCHEMBL13633047 0.85 ALK (0.45) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633030 0.84 ALK (0.46) ALKJAK2JAK1JAK3TYK2
SCHEMBL13632963 0.84 ALK (0.44) ALKJAK2JAK1JAK3TYK2
SCHEMBL13634074 0.84 ALK (0.41) ALKJAK2KDRMEN1KMT2A
SCHEMBL13633058 0.84 ALK (0.42) ALKJAK2JAK1JAK3TYK2
SCHEMBL13634078 0.83 ALK (0.46) ALKJAK2JAK1JAK3TYK2
SCHEMBL13633179 0.83 ALK (0.44) ALKJAK2JAK1JAK3TYK2
SCHEMBL1074539 0.83 ALK (0.57) 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 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 3/4885NTRK1 1080/4885JAK2 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.