SCHEMBL3029211

SCHEMBL3029211

CC1CSC(c2cc3cccc(NC4CCOCC4)c3[nH]2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.41
ATAD2 Q6PL18 3/20 0.41
PIM1 P11309 4/20 0.37
PIM2 Q9P1W9 4/20 0.37
CARM1 Q86X55 1/20 0.35
MAPK1 P28482 4/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CG P48736 1/20 0.33
CSF1R P07333 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PRKAA1 Q13131 1/20 0.33
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
ERN1 O75460 2/20 0.31
PIM3 Q86V86 1/20 0.31
MAPK3 P27361 1/20 0.31

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
SCHEMBL1277593 0.87 BRD4 (0.41) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL1277596 0.87 BRD4 (0.41) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL3031795 0.86 BRD4 (0.37) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL3031799 0.86 BRD4 (0.37) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL1278037 0.86 BRD4 (0.36) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL1278039 0.86 BRD4 (0.36) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL3025095 0.85 BRD4 (0.38) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL1277632 0.85 BRD4 (0.36) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL3025091 0.85 BRD4 (0.38) BRD4ATAD2PIM1PIM2CARM1
SCHEMBL1277630 0.85 BRD4 (0.36) BRD4ATAD2PIM1PIM2CARM1

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 11 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
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2010-08-19 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 BRD4 2348/4885ATAD2 2935/4885PIM1 916/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885PIM1 916/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BRD4 2348/4885ATAD2 2935/4885PIM1 916/4885

“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.