SCHEMBL2208646

SCHEMBL2208646

Cc1nn(C)c(C)c1-c1cccc2c1cc(C(=O)O)n2CCCOc1cccc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 16/20 0.63
MARK3 P27448 4/20 0.61
CAMK2B Q13554 4/20 0.61
MARK2 Q7KZI7 4/20 0.61
HIPK2 Q9H2X6 4/20 0.61
NEK4 P51957 3/20 0.61
MAP3K20 Q9NYL2 3/20 0.61
EEF2K O00418 2/20 0.61
AXL P30530 2/20 0.61
CAMK2G Q13555 2/20 0.61
CAMK2D Q13557 2/20 0.61
PIM3 Q86V86 2/20 0.61
MKNK2 Q9HBH9 2/20 0.61
BCL6 P41182 1/20 0.61
PRKCD Q05655 1/20 0.61
PRKAA1 Q13131 1/20 0.61
MAP4K5 Q9Y4K4 1/20 0.61
GSK3B P49841 3/20 0.58
MINK1 Q8N4C8 3/20 0.58
SRPK1 Q96SB4 3/20 0.58

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
SCHEMBL17044377 0.88 MCL1 (0.57) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2204558 0.87 MCL1 (0.70) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2202778 0.84 MCL1 (0.72) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2203854 0.84 MARK3 (0.70) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2206634 0.83 MCL1 (0.64) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044328 0.80 MARK3 (0.55) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2206185 0.80 MCL1 (0.60) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2207497 0.80 MARK3 (0.60) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL2204792 0.79 MCL1 (1.00) MCL1MARK3CAMK2BMARK2HIPK2
SCHEMBL17044350 0.77 MCL1 (0.50) MCL1MARK3CAMK2BMARK2HIPK2

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 7 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 claimed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 US claimed
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 MCL1 1/4885MARK3 2407/4885CAMK2B 941/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885MARK3 2407/4885CAMK2B 941/4885

“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.