SCHEMBL3124885

SCHEMBL3124885

CC(C)(C)OC(=O)N[C@H]1CCN(CC[C@@H]2CSC(c3cc4cc(Cl)cc(NC5CCOCC5)c4[nH]3)=N2)C1.N[C@H]1CCN(CC[C@@H]2CSC(c3cc4cc(Cl)cc(NC5CCOCC5)c4[nH]3)=N2)C1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.33
IGF1R P08069 1/20 0.32
DDR1 Q08345 2/20 0.32
PARP1 P09874 2/20 0.32
MAPK1 P28482 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
CNR1 P21554 2/20 0.31
FGFR4 P22455 1/20 0.31
BRD4 O60885 1/20 0.31
CACNA1H O95180 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
SELP P16109 1/20 0.30
TYRO3 Q06418 1/20 0.30
SUV39H2 Q9H5I1 2/20 0.30
NSD2 O96028 1/20 0.30

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
SCHEMBL3124894 1.00 BTK (0.33) BTKIGF1RDDR1PARP1MAPK1
SCHEMBL1278328 0.96 BTK (0.34) BTKIGF1RDDR1PARP1MAPK1
SCHEMBL1278329 0.96 BTK (0.34) BTKIGF1RDDR1PARP1MAPK1
SCHEMBL1278178 0.88 CSF1R (0.33)
SCHEMBL1278180 0.88 CSF1R (0.33)
SCHEMBL1277984 0.87 MAPK1 (0.35) MAPK1DRD2DRD3CNR1CACNA1H
SCHEMBL1277981 0.87 MAPK1 (0.35) MAPK1DRD2DRD3CNR1CACNA1H
SCHEMBL13769034 0.86 MAPK1 (0.34) MAPK1DRD2DRD3CNR1CACNA1H
SCHEMBL3421896 0.84 VCP (0.36) MAPK1CNR1NSD2
SCHEMBL3421899 0.84 VCP (0.36) MAPK1CNR1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 BTK 4227/4885IGF1R 1858/4885DDR1 4464/4885
US-20140024618-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BTK 4227/4885IGF1R 1858/4885DDR1 4464/4885
US-20100210647-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, TNF BTK 4227/4885IGF1R 1858/4885DDR1 4464/4885

“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.