SCHEMBL13633014

SCHEMBL13633014

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.39
GLS O94925 2/20 0.38
ALK Q9UM73 3/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PIK3CA P42336 1/20 0.36
PRKDC P78527 1/20 0.36
GPR119 Q8TDV5 4/20 0.36
YAP1 P46937 2/20 0.35
NAMPT P43490 1/20 0.35
JAK2 O60674 1/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
WNT3A P56704 1/20 0.34

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
SCHEMBL4367271 0.94 ALK (0.44) CETPGLSALKFNTAFNTB
SCHEMBL13632935 0.91 ALK (0.36) ALKJAK2
SCHEMBL13623229 0.90 ALK (0.43) GLSALKFNTAFNTBJAK2
SCHEMBL13632931 0.89 ALK (0.36) ALKFNTAFNTBJAK2
SCHEMBL13633017 0.89 ALK (0.36) ALKFNTAFNTBJAK2
SCHEMBL13632988 0.89 EPHX2 (0.36) ALKNAMPTJAK2
SCHEMBL13633107 0.87 ALK (0.36) ALKJAK2
SCHEMBL13633161 0.87 JAK2 (0.37) ALKNAMPTJAK2
SCHEMBL13633015 0.86 ALK (0.36) ALKFNTAFNTBJAK2
SCHEMBL13634048 0.86 ALK (0.36) 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 CETP 4377/4885GLS 751/4885ALK 3/4885

“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.