SCHEMBL13633232

SCHEMBL13633232

CC(C)(C)OC(=O)Nc1cccc(CNC(=O)c2cccc(Nc3nc(I)ncc3Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
RPS6KB1 P23443 1/20 0.46
MET P08581 1/20 0.46
BRD4 O60885 3/20 0.45
SYK P43405 1/20 0.43
ROCK1 Q13464 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
NTRK1 P04629 4/20 0.41
JAK3 P52333 4/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
CDK1 P06493 1/20 0.40
KAT6A Q92794 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
TTK P33981 1/20 0.39

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
SCHEMBL13623006 0.92 MET (0.47) AURKARPS6KB1METBRD4SYK
SCHEMBL13623118 0.81 AURKA (0.50) AURKARPS6KB1METBRD4SYK
SCHEMBL13622970 0.80 SYK (0.51) METBRD4SYKPRMT5WDR77
SCHEMBL4336930 0.78 LMNA (0.46) AURKARPS6KB1BRD4ROCK1EGFR
SCHEMBL12209794 0.78 AURKA (0.56) AURKARPS6KB1JAK3JAK2JAK1
SCHEMBL13623131 0.77 SYK (0.50) AURKARPS6KB1METBRD4SYK
SCHEMBL13623005 0.77 SENP1 (0.52) AURKARPS6KB1BRD4PRMT5WDR77
SCHEMBL10160157 0.77 SENP1 (0.55) AURKARPS6KB1PRMT5WDR77
SCHEMBL13623129 0.76 SYK (0.47) AURKARPS6KB1METBRD4SYK
SCHEMBL4180112 0.76 SYK (0.57) METBRD4SYKEGFRSRC

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 AURKA 53/4885RPS6KB1 369/4885MET 599/4885

“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.