SCHEMBL13623134

SCHEMBL13623134

CC(C)(C)OC(=O)Nc1cc(Br)cc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
LCK P06239 2/20 0.39
MAPK14 Q16539 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL15858093 0.89 CYP17A1 (0.47) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL6627242 0.89 CYP17A1 (0.47) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL1025927 0.89 CYP17A1 (0.40) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL19274733 0.86 LCK (0.45) CYP17A1LCKMAPK14CA12CA1
SCHEMBL19826504 0.86 LCK (0.45) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL4752155 0.84 TOP2A (0.46) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL18411746 0.84 CYP17A1 (0.43) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL6296543 0.84 CYP17A1 (0.43) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL25751479 0.82 CYP4F2 (0.44) CYP17A1TOP2ATOP2BLCKMAPK14
SCHEMBL89282 0.81 KMT2A (0.45) CYP17A1TOP2ATOP2BLCKMAPK14

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 4 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
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 CYP17A1 3568/4885TOP2A 2613/4885TOP2B 2560/4885

“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.