SCHEMBL2205262

SCHEMBL2205262

CCOC(=O)c1c(Br)c2cc(OCc3ccccc3)ccc2n1CCCOc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.49
EEF2K O00418 1/20 0.49
DAPK3 O43293 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
RPS6KB1 P23443 1/20 0.49
MARK3 P27448 1/20 0.49
AXL P30530 1/20 0.49
AKT2 P31751 1/20 0.49
CSNK1A1 P48729 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49
NEK2 P51955 1/20 0.49
NEK4 P51957 1/20 0.49
MAP4K2 Q12851 1/20 0.49
ROCK1 Q13464 1/20 0.49
CAMK2B Q13554 1/20 0.49
CAMK2G Q13555 1/20 0.49
CAMK2D Q13557 1/20 0.49

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
SCHEMBL2204722 0.86 MARK3 (0.52) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL2207231 0.86 MARK3 (0.59) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL2207408 0.84 MARK3 (0.52) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL2204797 0.84 MARK3 (0.51) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL9142215 0.80 MEN1 (0.54)
SCHEMBL2207072 0.79 MAPT (0.50) MCL1
SCHEMBL6851293 0.79 KDM4E (0.53)
SCHEMBL2204434 0.79 MCL1 (0.58) CDC7EEF2KDAPK3MAP4K4PAK4
SCHEMBL6856097 0.78 PLA2G2A (0.63)
SCHEMBL2204047 0.77 MARK3 (0.65) CDC7EEF2KDAPK3MAP4K4PAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 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 (2 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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CDC7 56/4885EEF2K 333/4885DAPK3 627/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CDC7 56/4885EEF2K 333/4885DAPK3 627/4885

“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.