SCHEMBL618999

SCHEMBL618999

COC(=O)c1cc(Br)cc2c(C3CCSC(C)(C)C3)c[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.37
IKBKB O14920 8/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRK1 P41145 4/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
CHUK O15111 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL10211412 1.00 NR4A2 (0.37) NR4A2IKBKBALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL621478 0.89 GABRA1 (0.41) IKBKBALDH1A1SMN1; SMN2L3MBTL1OPRK1
SCHEMBL619495 0.89 IKBKB (0.40) IKBKBALDH1A1SMN1; SMN2L3MBTL1CHUK
SCHEMBL618368 0.85 NR4A2 (0.41) NR4A2IKBKBOPRK1PDK2PDK4
SCHEMBL621251 0.83 NR4A2 (0.40) NR4A2IKBKBALDH1A1L3MBTL1OPRK1
SCHEMBL621159 0.81 NR4A2 (0.39) NR4A2IKBKBOPRK1PDK2PDK4
SCHEMBL10211413 0.81 IKBKB (0.57) NR4A2IKBKBOPRK1PDK2PDK4
SCHEMBL621124 0.74 GABRA1 (0.42) IKBKBALDH1A1SMN1; SMN2OPRK1CHUK
SCHEMBL10211391 0.72 IKBKB (0.38) IKBKBALDH1A1CHUK
SCHEMBL622105 0.72 GABRA1 (0.41) IKBKBALDH1A1SMN1; SMN2OPRK1CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
EP-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 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 (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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA NR4A2 425/4885IKBKB 8/4885ALDH1A1 3293/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA NR4A2 417/4885IKBKB 8/4885ALDH1A1 3303/4885

“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.