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SCHEMBL15622993

SCHEMBL15622993

CCOC(=O)c1c(CCCOc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 16/20 0.80
▸ 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

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
SCHEMBL15622465 0.89 MCL1 (1.00) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2204434 0.85 MCL1 (0.58) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2204297 0.85 MCL1 (0.88) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2201248 0.85 MCL1 (0.88) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2202112 0.85 MCL1 (0.78) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2204548 0.83 MCL1 (0.85) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2203601 0.83 MCL1 (0.88) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL15625856 0.83 MCL1 (0.74) MCL1PIN1
SCHEMBL2202853 0.82 MCL1 (0.86) MCL1CDC7EEF2KDAPK3MAP4K4
SCHEMBL2204955 0.82 MCL1 (0.85) MCL1CDC7EEF2KDAPK3MAP4K4

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
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 — — US disclosed
US-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-11-01 — — US disclosed
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-10-09 — — US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 — — US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 — — 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 (4 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-20180312485-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 MCL1 1/4885CDC7 2126/4885EEF2K 777/4885
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 MCL1 1/4885CDC7 2126/4885EEF2K 777/4885
US-10093640-B2 Substituted benzofuran, benzothiophene and indole MCL-1 inhibitors MCL1, BCL2L1, BCLAF1 MCL1 1/4885CDC7 2126/4885EEF2K 777/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 MCL1 1/4885CDC7 2126/4885EEF2K 777/4885

“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.