SCHEMBL2389340

SCHEMBL2389340

CCOC(=O)CCCc1nc2cc(-c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC56CC7CC(CC(C7)C5)C6)c([N+](=O)[O-])c4)cc3)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 14/20 0.38
BCL2 P10415 14/20 0.38
AURKA O14965 1/20 0.38
PLK1 P53350 1/20 0.38
DYRK1A Q13627 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
AURKB Q96GD4 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
BAD Q92934 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MCL1 Q07820 3/20 0.36

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
SCHEMBL2387342 0.91 BCL2L1 (0.42) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2943213 0.89 BCL2L1 (0.43) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2951650 0.87 BCL2L1 (0.39) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2949357 0.86 BCL2 (0.44) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2948356 0.84 BCL2L1 (0.60) BCL2L1BCL2MCL1
SCHEMBL2944901 0.82 BCL2L1 (0.38) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2953391 0.78 BCL2L1 (0.51) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2951659 0.78 BCL2L1 (0.44) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2947764 0.77 BCL2L1 (0.49) BCL2L1BCL2AURKAPLK1DYRK1A
SCHEMBL2948953 0.77 BCL2L1 (0.50) BCL2L1BCL2AURKAPLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885AURKA 4154/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885AURKA 4154/4885

“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.