SCHEMBL2995214

SCHEMBL2995214

Cc1cc(C2CC(N)CCN2C(=O)OC(C)(C)C)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGDS O60760 3/20 0.36
NR1H2 P55055 5/20 0.35
NR1H3 Q13133 4/20 0.35
RXRA P19793 2/20 0.35
GRM5 P41594 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VCP P55072 1/20 0.35
NPY5R Q15761 2/20 0.34
BACE1 P56817 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL3723438 0.96 KIT (0.39) KITMEN1KMT2AHPGDSNR1H2
SCHEMBL17782223 0.75 RIPK1 (0.50) NR1H2NR1H3RXRAGPR119
SCHEMBL2995216 0.73 KIT (0.52) KITMEN1KMT2AHPGDSALDH1A1
SCHEMBL3723439 0.71 KIT (0.49) KITMEN1KMT2AHPGDSALDH1A1
SCHEMBL3724914 0.70 KIT (0.48) KITMEN1KMT2AHPGDSALDH1A1
SCHEMBL29116144 0.68 RIPK1 (0.54) NR1H2NR1H3RXRAGRM5GPR119
SCHEMBL7861627 0.66 TACR1 (0.57) NR1H2NR1H3GPR119
SCHEMBL7861629 0.66 TACR1 (0.57) NR1H2NR1H3GPR119
SCHEMBL16054075 0.65 HPGDS (0.45) KITMEN1KMT2AHPGDSNR1H2
SCHEMBL16054078 0.65 HPGDS (0.45) KITMEN1KMT2AHPGDSNR1H2

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 5 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
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

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 659/4885MEN1 2621/4885KMT2A 4625/4885
US-20100197673-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS IDO1, IDO2, NFATC1 KIT 659/4885MEN1 2621/4885KMT2A 4625/4885

“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.