SCHEMBL620939

SCHEMBL620939

COc1ccccc1-c1cc(C(N)=O)c2[nH]cc(C3CCS(=O)(=O)CC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.73
CHUK O15111 5/20 0.56
CAMKK2 Q96RR4 1/20 0.52
BTK Q06187 2/20 0.50
CSF1R P07333 1/20 0.50
AURKA O14965 1/20 0.49
FLT3 P36888 1/20 0.49
CSNK1E P49674 1/20 0.49

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
SCHEMBL620938 0.92 IKBKB (0.62) IKBKBCHUKCAMKK2BTKCSF1R
SCHEMBL621424 0.91 IKBKB (0.72) IKBKBCHUKCAMKK2BTKCSF1R
SCHEMBL619129 0.89 IKBKB (0.77) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL621371 0.89 IKBKB (0.80) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL620634 0.87 IKBKB (0.77) IKBKBCHUKCAMKK2BTKCSF1R
SCHEMBL621428 0.87 IKBKB (0.60) IKBKBCHUKCAMKK2BTKCSF1R
SCHEMBL621580 0.86 IKBKB (0.76) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL620211 0.85 IKBKB (0.68) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL621776 0.85 IKBKB (0.68) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL620230 0.85 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA

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 4 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

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 IKBKB 8/4885CHUK 14/4885CAMKK2 209/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA IKBKB 8/4885CHUK 14/4885CAMKK2 213/4885

“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.