Sugi Predict

Sugi Predict / Compounds / SCHEMBL3415922

SCHEMBL3415922

SCHEMBL3415922

O=S(=O)(c1ccc(-c2ccnc3c2cc(Cn2ccnn2)n3S(=O)(=O)c2ccccc2)cc1)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.45
▸ CHUK O15111 2/20 0.45
▸ ALDH1A1 P00352 7/20 0.41
▸ GAA P10253 3/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 4/20 0.35
▸ NPSR1 Q6W5P4 4/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL3417317 0.90 IKBKB (0.45) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL3413741 0.86 IKBKB (0.48) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL3413990 0.86 IKBKB (0.45) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL3410153 0.85 IKBKB (0.51) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL3412684 0.84 IKBKB (0.50) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL13505097 0.84 IKBKB (0.50) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL3415381 0.83 IKBKB (0.49) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL3412517 0.80 IKBKB (0.46) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL14279264 0.80 IKBKB (0.48) IKBKBCHUKALDH1A1GAAMEN1
SCHEMBL3417108 0.80 IKBKB (0.48) IKBKBCHUKALDH1A1GAAMEN1

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 6 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
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-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 8/4885ALDH1A1 4154/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885ALDH1A1 2180/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ALDH1A1 4154/4885

“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.