SCHEMBL13633170

SCHEMBL13633170

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(c4cc(C(F)(F)F)ccc4N)CC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ALK Q9UM73 5/20 0.37
FFAR4 Q5NUL3 5/20 0.37
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LCK P06239 2/20 0.32
TEK Q02763 2/20 0.32
KDR P35968 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PDGFRB P09619 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
SCHEMBL13634063 0.87 ALK (0.38) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632997 0.86 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633169 0.86 ALK (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633113 0.85 ALK (0.39) JAK2JAK1TYK2JAK3ALK
SCHEMBL13632935 0.84 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633161 0.84 JAK2 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633110 0.84 ALK (0.38) JAK2JAK1TYK2JAK3ALK
SCHEMBL13634061 0.84 ALK (0.35) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633111 0.84 ALK (0.36) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633164 0.84 ALK (0.47) JAK2JAK1TYK2JAK3ALK

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 1/4885JAK1 2/4885TYK2 16/4885

“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.