SCHEMBL4163250

SCHEMBL4163250

O=C(O)c1[nH]c2c(-c3ccc(C(=O)N4CCOCC4)cc3C(F)(F)F)cccc2c1CCCCN1CCCCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.42
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.35
MARK3 P27448 2/20 0.34
AXL P30530 2/20 0.34
NEK4 P51957 2/20 0.34
PRKCD Q05655 2/20 0.34
CAMK2B Q13554 2/20 0.34
CAMK2G Q13555 2/20 0.34
CAMK2D Q13557 2/20 0.34
MARK2 Q7KZI7 2/20 0.34
PIM3 Q86V86 2/20 0.34
HIPK2 Q9H2X6 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
MAP3K20 Q9NYL2 2/20 0.34
MAP4K5 Q9Y4K4 2/20 0.34
CNR2 P34972 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
SCHEMBL4161321 0.98 MCL1 (0.41) MCL1PDCD1CD274MAPK1SMN1; SMN2
SCHEMBL4171899 0.95 MCL1 (0.39) MCL1PDCD1CD274MAPK1SMN1; SMN2
SCHEMBL4170743 0.91 MCL1 (0.38) MCL1PDCD1CD274RORCMARK3
SCHEMBL4168704 0.91 PDCD1 (0.38) MCL1PDCD1CD274RORCMARK3
SCHEMBL4163053 0.89 L3MBTL1 (0.39) MCL1MAPK1SMN1; SMN2RORCCNR2
SCHEMBL4174801 0.88 PDCD1 (0.37) MCL1PDCD1CD274RORCMARK3
SCHEMBL4156731 0.87 RORC (0.35) MCL1PDCD1CD274RORCMARK3
SCHEMBL4158209 0.87 ALDH1A1 (0.37) MCL1PDCD1CD274RORCMARK3
SCHEMBL4175502 0.86 MCL1 (0.38) MCL1PDCD1CD274MAPK1SMN1; SMN2
SCHEMBL4166306 0.85 KDM4E (0.39) MCL1SMN1; SMN2RORCHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP claimed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP claimed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US claimed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US claimed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US 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
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 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 (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 MCL1 1/4885PDCD1 227/4885CD274 2482/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885PDCD1 227/4885CD274 2482/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885PDCD1 227/4885CD274 2482/4885

“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.