SCHEMBL13623302

SCHEMBL13623302

CC(C)(C)OC(=O)Nc1cccc(CCc2cc(N)cc3c2oc(=O)n3COCC[Si](C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.38
AKT1 P31749 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
F11 P03951 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 3/20 0.33
NPY1R P25929 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CYP17A1 P05093 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
SCHEMBL4359430 0.90 NPC1 (0.36) CYP3A4CYP2C19AURKANPC1F11
SCHEMBL4353268 0.86 TLR7 (0.40) TLR7AKT1CYP3A4CYP2C19AURKA
SCHEMBL13623300 0.85 SMN1; SMN2 (0.38) TLR7AKT1CYP3A4CYP2C19AURKA
SCHEMBL13623303 0.84 BCL6 (0.36) TLR7AKT1CYP3A4CYP2C19AURKA
SCHEMBL13623304 0.73 SIRT2 (0.36) CA12CA1CA9SIRT2CYP17A1
SCHEMBL4365344 0.71 BCL6 (0.38) TLR7AKT1CYP3A4CYP2C19AURKA
SCHEMBL13623299 0.71 BCL6 (0.37) TLR7AKT1AURKARPS6KB1BRD4
SCHEMBL13622713 0.70 AURKA (0.48) TLR7CYP3A4CYP2C19AURKARPS6KB1
SCHEMBL13622510 0.70 AURKA (0.43) TLR7CYP3A4CYP2C19AURKARPS6KB1
SCHEMBL13670174 0.70 AURKA (0.43) TLR7CYP3A4CYP2C19AURKARPS6KB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
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 TLR7 1054/4885AKT1 316/4885CYP3A4 3025/4885

“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.