SCHEMBL3413342

SCHEMBL3413342

CCc1cc2c(-c3ccc(S(=O)(=O)NCCN(C(=O)O)C(C)(C)C)cc3)ccnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.59
CHUK O15111 16/20 0.59
ROCK1 Q13464 2/20 0.58
NEK1 Q96PY6 5/20 0.51
CYP2C9 P11712 1/20 0.51
AURKB Q96GD4 1/20 0.45
AURKAIP1 Q9NWT8 1/20 0.45

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
SCHEMBL3609319 0.90 IKBKB (0.73) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3416582 0.86 IKBKB (0.58) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3616050 0.86 IKBKB (0.69) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3609467 0.86 IKBKB (0.62) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3416205 0.85 IKBKB (0.76) IKBKBCHUKROCK1NEK1CYP2C9
Trifluoroacetic Acid SCHEMBL3607019 0.84 IKBKB (0.67) IKBKBCHUKROCK1NEK1CYP2C9
Trifluoroacetic Acid SCHEMBL3617935 0.84 IKBKB (0.73) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL14278901 0.83 IKBKB (0.63) IKBKBCHUKROCK1NEK1CYP2C9
Trifluoroacetic Acid SCHEMBL3417460 0.82 IKBKB (0.70) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3415033 0.81 IKBKB (0.77) IKBKBCHUKROCK1NEK1CYP2C9

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
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
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

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.