SCHEMBL3412954

SCHEMBL3412954

O=C(ON(C1CCS(O)(O)C1)S(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4=CC=C4)cc23)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 18/20 0.43
▸ IKBKB O14920 15/20 0.43
▸ AURKB Q96GD4 1/20 0.40
▸ AURKAIP1 Q9NWT8 1/20 0.40
▸ CYP2C9 P11712 1/20 0.37
▸ TBK1 Q9UHD2 2/20 0.36
▸ INSR P06213 3/20 0.35
▸ MAPK8 P45983 3/20 0.35
▸ CAMKK2 Q96RR4 3/20 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
SCHEMBL3417788 0.86 IKBKB (0.52) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3415569 0.85 IKBKB (0.51) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3418223 0.85 IKBKB (0.51) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3418425 0.79 CHUK (0.43) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3417022 0.77 IKBKB (0.56) CHUKIKBKBCYP2C9
SCHEMBL3418445 0.76 IKBKB (0.57) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3413927 0.75 IKBKB (0.56) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3411323 0.74 IKBKB (0.56) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3416485 0.74 IKBKB (0.44) CHUKIKBKBAURKBAURKAIP1CYP2C9
SCHEMBL3415850 0.74 IKBKB (0.55) CHUKIKBKBAURKBAURKAIP1CYP2C9

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 CHUK 300/4885IKBKB 428/4885AURKB 136/4885

“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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