SCHEMBL3030445

SCHEMBL3030445

CC(=O)N1CC[C@@H](Nc2cccc3cc(C4=NC(CO)CS4)[nH]c23)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.40
PIM2 Q9P1W9 5/20 0.40
BRD4 O60885 3/20 0.39
ATAD2 Q6PL18 3/20 0.39
HRH4 Q9H3N8 2/20 0.38
JAK3 P52333 5/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 1/20 0.37
PARP14 Q460N5 1/20 0.37
MAPK3 P27361 2/20 0.36
OPRL1 P41146 1/20 0.35

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
SCHEMBL3030442 1.00 PIM1 (0.40) PIM1PIM2BRD4ATAD2HRH4
SCHEMBL1277522 0.85 BRD4 (0.38) BRD4ATAD2JAK3JAK2JAK1
SCHEMBL1277526 0.85 BRD4 (0.38) BRD4ATAD2JAK3JAK2JAK1
SCHEMBL1277527 0.85 BRD4 (0.38) BRD4ATAD2JAK3JAK2JAK1
SCHEMBL1277660 0.82 BRD4 (0.43) PIM1PIM2BRD4ATAD2
SCHEMBL1277663 0.82 BRD4 (0.43) PIM1PIM2BRD4ATAD2
SCHEMBL3018683 0.81 JAK1 (0.37) PIM1PIM2BRD4ATAD2JAK3
SCHEMBL3018677 0.81 JAK1 (0.37) PIM1PIM2BRD4ATAD2JAK3
SCHEMBL1277593 0.80 BRD4 (0.41) PIM1PIM2BRD4ATAD2JAK3
SCHEMBL1277596 0.80 BRD4 (0.41) PIM1PIM2BRD4ATAD2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 US claimed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP claimed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO claimed
US-8889691-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2014-11-18 US disclosed
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2014-01-23 US disclosed
US-8569307-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-10-29 US disclosed
US-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEM, LTD. (KR) 2012-10-04 US disclosed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US disclosed
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 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-20120252798-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PIM1 916/4885PIM2 1391/4885BRD4 2348/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PIM1 916/4885PIM2 1391/4885BRD4 2348/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF PIM1 916/4885PIM2 1391/4885BRD4 2348/4885

“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.