SCHEMBL3416115

SCHEMBL3416115

O=S(=O)(c1ccc(-c2ccnc3[nH]c(CNCC4CC4)cc23)cc1)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.55
CHUK O15111 15/20 0.55
CYP2C9 P11712 1/20 0.46
ROCK1 Q13464 1/20 0.44
CCNK O75909 4/20 0.42
CDK12 Q9NYV4 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
AURKB Q96GD4 1/20 0.40
AURKAIP1 Q9NWT8 1/20 0.40

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
SCHEMBL3416192 0.96 IKBKB (0.53) IKBKBCHUKCYP2C9ROCK1CCNK
Trifluoroacetic Acid SCHEMBL3413341 0.93 IKBKB (0.48) IKBKBCHUKCYP2C9ROCK1CCNK
Trifluoroacetic Acid SCHEMBL3414398 0.90 IKBKB (0.47) IKBKBCHUKCYP2C9ROCK1CCNK
SCHEMBL3418176 0.86 IKBKB (0.64) IKBKBCHUKCYP2C9ROCK1CCNK
SCHEMBL3415927 0.85 IKBKB (0.55) IKBKBCHUKROCK1AURKB
SCHEMBL13507226 0.84 IKBKB (0.61) IKBKBCHUKCYP2C9ROCK1CCNK
SCHEMBL3415015 0.84 IKBKB (0.52) IKBKBCHUKCYP2C9ROCK1CCNK
SCHEMBL3415555 0.83 IKBKB (0.53) IKBKBCHUKCYP2C9ROCK1CCNK
SCHEMBL3409717 0.83 IKBKB (0.62) IKBKBCHUKCYP2C9ROCK1AURKB
SCHEMBL3410171 0.83 IKBKB (0.62) IKBKBCHUKCYP2C9ROCK1CCNK

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 12 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
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-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
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 8/4885CYP2C9 3454/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885CYP2C9 2830/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885CYP2C9 3454/4885

“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.