SCHEMBL8278680

SCHEMBL8278680

CC(C)Oc1ccc(C(N)=O)cc1Nc1nc2c(ccc3ccncc32)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.39
AR P10275 1/20 0.36
DYRK1A Q13627 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
TOP2A P11388 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PARP14 Q460N5 2/20 0.34
TNIK Q9UKE5 1/20 0.34
GSK3A P49840 2/20 0.34
GSK3B P49841 2/20 0.34
ABL1 P00519 2/20 0.34
CDK5 Q00535 2/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
RET P07949 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
SCHEMBL8278683 0.93 XIAP (0.39) XIAPARDYRK1AMKNK2MKNK1
SCHEMBL8277671 0.84 XIAP (0.38) XIAPARDYRK1APARP14TNIK
SCHEMBL6128202 0.83 CHRM4 (0.41) MKNK2MKNK1ABL1CDK5TBK1
SCHEMBL6120135 0.83 TNIK (0.40) XIAPDYRK1AMKNK2TNIKALK
SCHEMBL8278500 0.82 SYK (0.36) XIAPARDYRK1AMKNK2MKNK1
Hydrochloric Acid SCHEMBL6118017 0.81 SYK (0.36) XIAPARDYRK1AMKNK2MKNK1
SCHEMBL6120488 0.80 TOP2A (0.35) XIAPDYRK1AMKNK2MKNK1TOP2A
SCHEMBL8278493 0.80 LCK (0.35) DYRK1AMKNK2MKNK1TOP2APARP14
SCHEMBL6126332 0.79 TOP2A (0.40) DYRK1AMKNK2MKNK1TOP2APARP14
SCHEMBL8278499 0.79 TOP2A (0.37) DYRK1AMKNK2MKNK1TOP2AIRAK4

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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 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-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 XIAP 965/4885AR 4023/4885DYRK1A 4569/4885

“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.