SCHEMBL3418248

SCHEMBL3418248

O=C(O)Cc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.59
CHUK O15111 12/20 0.59
ROCK1 Q13464 1/20 0.53
CYP2C9 P11712 1/20 0.44
PTGDR2 Q9Y5Y4 4/20 0.43
AURKB Q96GD4 1/20 0.42
AURKAIP1 Q9NWT8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CCNK O75909 1/20 0.41
CDK12 Q9NYV4 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL3413647 0.94 IKBKB (0.53) IKBKBCHUKROCK1CYP2C9PTGDR2
SCHEMBL3411591 0.90 IKBKB (0.57) IKBKBCHUKROCK1CYP2C9AURKB
SCHEMBL3418176 0.89 IKBKB (0.64) IKBKBCHUKROCK1CYP2C9AURKB
SCHEMBL13507226 0.88 IKBKB (0.61) IKBKBCHUKROCK1CYP2C9AURKB
SCHEMBL3417794 0.87 IKBKB (0.50) IKBKBCHUKROCK1ALDH1A1GAA
SCHEMBL3410171 0.86 IKBKB (0.62) IKBKBCHUKROCK1CYP2C9AURKB
SCHEMBL3409717 0.86 IKBKB (0.62) IKBKBCHUKROCK1CYP2C9AURKB
Trifluoroacetic Acid SCHEMBL3415936 0.86 IKBKB (0.51) IKBKBCHUKROCK1CYP2C9ALDH1A1
SCHEMBL13014203 0.86 IKBKB (0.52) IKBKBCHUKROCK1CYP2C9AURKB
SCHEMBL3414429 0.85 IKBKB (0.48) IKBKBCHUKROCK1ALDH1A1GAA

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
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
EP-2069341-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2009-06-17 EP disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 US disclosed
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 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 (3 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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ROCK1 467/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885ROCK1 550/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ROCK1 467/4885

“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.