SCHEMBL4353268

SCHEMBL4353268

CC(C)(C)OC(=O)Nc1cccc(CCc2cc(N)cc3c2oc(=O)n3CC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CBX7 O95931 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
NPY1R P25929 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
AKT1 P31749 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL13623300 0.92 SMN1; SMN2 (0.38) TLR7CYP3A4CYP2C19CBX7RECQL
SCHEMBL13623302 0.86 TLR7 (0.38) TLR7CYP3A4CYP2C19NPY1RAKT1
SCHEMBL4365344 0.82 BCL6 (0.38) TLR7CYP3A4CYP2C19AKT1AURKA
SCHEMBL13623299 0.76 BCL6 (0.37) TLR7CBX7RECQLSMN1; SMN2CDYL2
SCHEMBL4359430 0.76 NPC1 (0.36) CYP3A4CYP2C19CBX7RECQLSMN1; SMN2
SCHEMBL13622713 0.74 AURKA (0.48) TLR7CYP3A4CYP2C19NPY1RAURKA
SCHEMBL13670174 0.74 AURKA (0.43) TLR7CYP3A4CYP2C19NPY1RAURKA
SCHEMBL13622510 0.74 AURKA (0.43) TLR7CYP3A4CYP2C19NPY1RAURKA
SCHEMBL7156537 0.73 MGLL (0.52) TLR7CYP3A4CYP2C19RECQLSMN1; SMN2
SCHEMBL13669878 0.72 NOX4 (0.45) TLR7CYP3A4CYP2C19SMN1; SMN2AURKA

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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 1054/4885CYP3A4 3025/4885CYP2C19 2221/4885

“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.