SCHEMBL3414591

SCHEMBL3414591

CS(=O)(=O)Nc1ccc(-c2ccnc3[nH]c(CC(=O)N4CCCC4)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 9/20 0.58
▸ IKBKB O14920 7/20 0.58
▸ INSR P06213 2/20 0.55
▸ MAPK8 P45983 2/20 0.55
▸ CAMKK2 Q96RR4 2/20 0.55
▸ CDK9 P50750 8/20 0.52
▸ CCNT1 O60563 6/20 0.52
▸ ROCK1 Q13464 1/20 0.46
▸ CDK1 P06493 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ CDK12 Q9NYV4 2/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ CLK1 P49759 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK2 Q92630 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
Trifluoroacetic Acid SCHEMBL3410081 0.94 CHUK (0.52) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL13505071 0.88 IKBKB (0.52) CHUKIKBKBCDK9ROCK1CDK1
SCHEMBL13505070 0.85 CHUK (0.66) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3412071 0.85 CHUK (0.66) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3411591 0.83 IKBKB (0.57) CHUKIKBKBCDK9ROCK1CDK1
SCHEMBL3412661 0.83 CHUK (0.61) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3416066 0.83 CHUK (0.64) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3413241 0.82 CHUK (0.62) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3414579 0.82 IKBKB (0.65) CHUKIKBKBROCK1
SCHEMBL3415403 0.81 CHUK (0.56) CHUKIKBKBINSRMAPK8CAMKK2

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 13 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
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
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 — — WO 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 CHUK 8/4885IKBKB 4/4885INSR 1849/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 CHUK 300/4885IKBKB 428/4885INSR 2029/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE CHUK 8/4885IKBKB 4/4885INSR 1849/4885

“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.

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