SCHEMBL15568575

SCHEMBL15568575

COC(=O)c1cc(F)c2c(I)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.43
POLB P06746 2/20 0.41
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
XDH P47989 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FUT7 Q11130 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
ALPL P05186 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL13132306 0.83 MAP2K4 (0.43) MAP2K4POLBKDM4EL3MBTL1LMNA
SCHEMBL24045192 0.80 MAP2K4 (0.38) MAP2K4POLBKDM4EL3MBTL1LMNA
SCHEMBL15417877 0.74 KDM4E (0.38) MAP2K4POLBKDM4EL3MBTL1LMNA
SCHEMBL30159476 0.74 MAP2K4 (0.54) MAP2K4KDM4EL3MBTL1LMNAGAA
SCHEMBL2671519 0.74 MAP2K4 (0.54) MAP2K4KDM4EL3MBTL1LMNAGAA
SCHEMBL16968677 0.72 PSMD14 (0.44) MAP2K4POLBKDM4EL3MBTL1LMNA
SCHEMBL14738326 0.71 MAP2K4 (0.33) MAP2K4
SCHEMBL30159599 0.71 KDM4E (0.50) MAP2K4KDM4EL3MBTL1LMNAXDH
SCHEMBL13132305 0.71 TDO2 (0.50) MAP2K4POLBKDM4EL3MBTL1LMNA
SCHEMBL23872474 0.71 KDM4E (0.48) MAP2K4KDM4ELMNAALPLMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2884977-B1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2017-10-11 EP disclosed
EP-2884977-B1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2017-10-11 EP disclosed
US-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-9556168-B2 N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-01-31 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
EP-2884977-A2 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2015-06-24 EP disclosed
WO-2014028591-A2 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 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 (1 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-20150210687-A1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA MAP2K4 2174/4885POLB 3777/4885KDM4E 3043/4885

“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.