SCHEMBL3418389

SCHEMBL3418389

CCN(CC)Cc1cc2c(-c3ccc(S(=O)(=O)NCCN)cc3)ccnc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.70
CHUK O15111 16/20 0.70
ROCK1 Q13464 3/20 0.70
NEK1 Q96PY6 4/20 0.56
CYP2C9 P11712 1/20 0.52
MAP3K5 Q99683 1/20 0.46
AURKB Q96GD4 1/20 0.43
AURKAIP1 Q9NWT8 1/20 0.43

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
SCHEMBL3415033 0.89 IKBKB (0.77) IKBKBCHUKROCK1NEK1CYP2C9
Hydrochloric Acid SCHEMBL3411439 0.88 IKBKB (0.75) IKBKBCHUKROCK1NEK1CYP2C9
Hydrochloric Acid SCHEMBL3414492 0.88 IKBKB (0.75) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3418452 0.86 IKBKB (0.81) IKBKBCHUKROCK1NEK1CYP2C9
Formic Acid SCHEMBL3412697 0.84 IKBKB (0.72) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL13506922 0.83 IKBKB (0.73) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3412840 0.82 IKBKB (1.00) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3411098 0.82 IKBKB (0.75) IKBKBCHUKROCK1NEK1CYP2C9
SCHEMBL3417659 0.82 IKBKB (1.00) IKBKBCHUKROCK1NEK1CYP2C9
Formic Acid SCHEMBL3612533 0.82 IKBKB (0.75) 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 10 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-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US 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-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 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
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 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.