SCHEMBL3413045

SCHEMBL3413045

CNc1ccc(-c2ccnc3c2cc(C)n3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.44
HTR6 P50406 6/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
IKBKB O14920 6/20 0.39
CHUK O15111 6/20 0.39
SLC40A1 Q9NP59 1/20 0.38
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2B P41595 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL3206774 0.89 PIK3C3 (0.49) PIK3C3HTR6PTGDR2IKBKBCHUK
SCHEMBL3416118 0.89 CHUK (0.53) PIK3C3HTR6PTGDR2IKBKBCHUK
SCHEMBL13505139 0.88 PTGDR2 (0.46) PIK3C3HTR6PTGDR2SRCALDH1A1
SCHEMBL3414679 0.86 PTGDR2 (0.43) PIK3C3HTR6PTGDR2IKBKBCHUK
SCHEMBL3418350 0.82 IKBKB (0.54) PIK3C3IKBKBCHUKALDH1A1
SCHEMBL3414803 0.81 IKBKB (0.53) PIK3C3HTR6PTGDR2IKBKBCHUK
SCHEMBL14278883 0.79 PIK3C3 (0.38) PIK3C3HTR6PTGDR2IKBKBCHUK
SCHEMBL3411083 0.77 IKBKB (0.62) PIK3C3IKBKBCHUK
SCHEMBL3411081 0.77 IKBKB (0.52) PIK3C3PTGDR2IKBKBCHUK
SCHEMBL30135081 0.76 PIK3C3 (0.39) PIK3C3PTGDR2

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 PIK3C3 308/4885HTR6 4688/4885PTGDR2 1284/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 PIK3C3 548/4885HTR6 3710/4885PTGDR2 2018/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE PIK3C3 308/4885HTR6 4688/4885PTGDR2 1284/4885

“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.