SCHEMBL13733401

SCHEMBL13733401

CC1(C)CN(C(=O)O)c2cc(Br)cnc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XIAP P98170 12/20 0.36
BIRC2 Q13490 7/20 0.36
IDO1 P14902 1/20 0.33
NOTUM Q6P988 1/20 0.33
IDH1 O75874 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL31381396 0.85 CASP2 (0.41) XIAPBIRC2
SCHEMBL13732154 0.83 NR1H2 (0.39) XIAPBIRC2HSD17B10KDM4E
SCHEMBL2123320 0.78 PDE4B (0.34)
SCHEMBL25398418 0.77 NOTUM (0.31) NOTUM
SCHEMBL13733437 0.75 XIAP (0.36) XIAPBIRC2ALDH1A1
SCHEMBL27929901 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL17436183 0.74 NOTUM (0.46) NOTUMALDH1A1
SCHEMBL13733175 0.73 XIAP (0.37) XIAPBIRC2
SCHEMBL13732026 0.72 XIAP (0.64) XIAPBIRC2
SCHEMBL15401238 0.72 NOTUM (0.47) XIAPBIRC2NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
EP-2909196-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Ltd. (GB) 2015-08-26 EP disclosed
EP-2909198-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Limited (GB) 2015-08-26 EP disclosed
EP-2909197-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Ltd. (GB) 2015-08-26 EP disclosed
WO-2014060767-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-04-24 WO disclosed
WO-2014060770-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-04-24 WO disclosed
WO-2014060768-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2014-04-24 WO disclosed
EP-2699562-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY Astex Therapeutics Limited (GB) 2014-02-26 EP disclosed
WO-2012143726-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2012-10-26 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-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 XIAP 2221/4885BIRC2 2390/4885IDO1 2313/4885

“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.