SCHEMBL2995216

SCHEMBL2995216

Cc1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.52
VCP P55072 2/20 0.47
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGDS O60760 1/20 0.44
PRMT5 O14744 1/20 0.44
USP30 Q70CQ3 2/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
SYK P43405 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL3724914 0.96 KIT (0.48) KITVCPBRD4ALDH1A1KMT2A
SCHEMBL3723439 0.95 KIT (0.49) KITVCPBRD4ALDH1A1KMT2A
SCHEMBL27237619 0.87 KIT (0.48) KITVCPBRD4ALDH1A1NPC1
SCHEMBL3000216 0.86 NPY5R (0.50) BRD4MAPTMAPK1PIM1PIM2
SCHEMBL27808315 0.84 EPHX2 (0.44) VCPMAPT
SCHEMBL2999826 0.84 VCP (0.40) VCPBRD4SYK
SCHEMBL30849060 0.83 KIT (0.45) KITVCPBRD4ALDH1A1KMT2A
SCHEMBL27237585 0.83 KIT (0.45) KITVCPBRD4ALDH1A1KMT2A
SCHEMBL3003738 0.81 VCP (0.44) VCPBRD4
SCHEMBL3724911 0.80 KIT (0.38) KITVCPBRD4HPGDSUSP30

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
EP-2178870-B1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG CHEMICAL LTD (KR) 2018-09-19 EP disclosed
US-9000028-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2015-04-07 US disclosed
CN-101784543-B Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2013-10-16 CN disclosed
US-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2013-09-12 US disclosed
US-8436038-B2 Indole and indazole compounds as an inhibitor of cellular necrosis LG LIFE SCIENCES LTD. (KR) 2013-05-07 US disclosed
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD (KR) 2010-08-05 US disclosed
CN-101784543-A Indole and indazole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-07-21 CN 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-20130237532-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 KIT 659/4885VCP 3548/4885BRD4 1492/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 KIT 659/4885VCP 3548/4885BRD4 1492/4885

“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.