SCHEMBL3018683

SCHEMBL3018683

CC(=O)N1CCN(CCC2CSC(c3cc4cccc(NC5CCCC5)c4[nH]3)=N2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
PIM1 P11309 3/20 0.35
PIM2 Q9P1W9 3/20 0.35
BRD4 O60885 4/20 0.35
ATAD2 Q6PL18 3/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HTR3A P46098 1/20 0.34
HTR4 Q13639 1/20 0.34
KDR P35968 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
NSD2 O96028 1/20 0.33
ITK Q08881 1/20 0.33
VCP P55072 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL3018677 1.00 JAK1 (0.37) JAK1JAK2TYK2JAK3PIM1
SCHEMBL1277909 0.89 SIGMAR1 (0.35) JAK1PIM1PIM2KMT2ASIGMAR1
SCHEMBL1277912 0.89 SIGMAR1 (0.35) JAK1PIM1PIM2KMT2ASIGMAR1
SCHEMBL28787660 0.89 VCP (0.36) BRD4ATAD2KDM4EUSP2TSHR
SCHEMBL1277872 0.89 KDM4E (0.35) PIM1PIM2BRD4ATAD2KMT2A
SCHEMBL1277869 0.89 KDM4E (0.35) PIM1PIM2BRD4ATAD2KMT2A
SCHEMBL1278076 0.88 SIGMAR1 (0.34) JAK1KMT2ASIGMAR1NSD2ITK
SCHEMBL1277783 0.88 SIGMAR1 (0.34) JAK1KMT2ASIGMAR1NSD2ITK
SCHEMBL1277779 0.88 SIGMAR1 (0.34) JAK1KMT2ASIGMAR1NSD2ITK
SCHEMBL1278074 0.86 VCP (0.36) BRD4ATAD2KDM4ETSHRVCP

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-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP claimed
US-8222414-B2 Indole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2012-07-17 US claimed
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
EP-2178869-B1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2013-06-12 EP 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 JAK1 1384/4885JAK2 1379/4885TYK2 2342/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF JAK1 1384/4885JAK2 1379/4885TYK2 2342/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF JAK1 1384/4885JAK2 1379/4885TYK2 2342/4885

“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.