SCHEMBL13012913

SCHEMBL13012913

CC(C)(C)OC(=O)Cc1cc2c(-c3ccc(NS(C)(=O)=O)cc3)ccnc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHUK O15111 13/20 0.59
IKBKB O14920 11/20 0.59
INSR P06213 2/20 0.56
MAPK8 P45983 2/20 0.56
CAMKK2 Q96RR4 2/20 0.56
ROCK1 Q13464 1/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
MAPK10 P53779 2/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CIT O14578 2/20 0.39

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
SCHEMBL3415412 0.92 CHUK (0.54) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL13505137 0.88 CHUK (0.53) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL13505070 0.88 CHUK (0.66) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3415900 0.86 CHUK (0.56) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3412071 0.86 CHUK (0.66) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL4451918 0.85 CHUK (0.55) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3416066 0.84 CHUK (0.64) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3413241 0.83 CHUK (0.62) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3415896 0.82 CHUK (0.59) CHUKIKBKBINSRMAPK8CAMKK2
SCHEMBL3412661 0.82 CHUK (0.61) 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 8 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-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

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.