SCHEMBL4170345

SCHEMBL4170345

O=C(O)c1[nH]c2c(-c3ccccc3N3CCOCC3)cccc2c1CCCOc1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK4 P51957 4/20 0.58
PRKCD Q05655 4/20 0.58
CAMK2B Q13554 4/20 0.58
CAMK2G Q13555 4/20 0.58
CAMK2D Q13557 4/20 0.58
HIPK2 Q9H2X6 4/20 0.58
MAP3K20 Q9NYL2 4/20 0.58
MAP4K5 Q9Y4K4 4/20 0.58
MARK3 P27448 3/20 0.58
MARK2 Q7KZI7 3/20 0.58
PIM3 Q86V86 3/20 0.58
MAP4K2 Q12851 3/20 0.58
TAOK1 Q7L7X3 3/20 0.58
HIPK4 Q8NE63 3/20 0.58
AURKB Q96GD4 3/20 0.58
MINK1 Q8N4C8 2/20 0.58
IRAK1 P51617 2/20 0.58
PBK Q96KB5 2/20 0.58
JAK2 O60674 1/20 0.58
ERBB2 P04626 1/20 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
SCHEMBL4156563 0.89 MCL1 (0.69) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL19178785 0.89 NEK4 (0.44) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4165269 0.85 MCL1 (0.75) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4166036 0.83 MCL1 (0.76) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4167150 0.82 MCL1 (0.64) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4164242 0.80 MCL1 (0.57) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4157956 0.80 MCL1 (0.70) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4162209 0.79 MCL1 (0.56) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4161988 0.79 MCL1 (0.72) NEK4PRKCDCAMK2BCAMK2GCAMK2D
SCHEMBL4161315 0.79 MCL1 (0.78) NEK4PRKCDCAMK2BCAMK2GCAMK2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP claimed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US claimed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US claimed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP claimed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US claimed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO claimed
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP disclosed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US disclosed
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC (US) 2015-10-08 US disclosed
US-9035047-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2015-05-19 US disclosed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US disclosed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US disclosed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 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 (3 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-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 NEK4 1438/4885PRKCD 2091/4885CAMK2B 812/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 NEK4 1438/4885PRKCD 2091/4885CAMK2B 812/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 NEK4 1438/4885PRKCD 2091/4885CAMK2B 812/4885

“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.