SCHEMBL3418244

SCHEMBL3418244

O=C(Cc1cc2c(Br)ccnc2[nH]1)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ PRKCI P41743 1/20 0.33
▸ DAO P14920 1/20 0.31
▸ CCNK O75909 3/20 0.31
▸ CDK12 Q9NYV4 3/20 0.31
▸ NUDT1 P36639 1/20 0.31

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
SCHEMBL13507021 0.82 IKBKB (0.34) IKBKBCHUKROCK1PRKCIDAO
Trifluoroacetic Acid SCHEMBL3418240 0.81 IKBKB (0.35) IKBKBCHUKROCK1PRKCIDAO
SCHEMBL13013845 0.81 CCNK (0.39) IKBKBCHUKROCK1PRKCIDAO
SCHEMBL3409857 0.79 CHUK (0.53) IKBKBCHUKROCK1CCNKCDK12
SCHEMBL3416746 0.78 PRKCI (0.40) IKBKBCHUKROCK1PRKCIDAO
SCHEMBL2239319 0.77 CHUK (0.51) IKBKBCHUKROCK1PRKCIDAO
SCHEMBL13505099 0.77 PRKCI (0.39) IKBKBCHUKROCK1PRKCIDAO
SCHEMBL3415900 0.76 CHUK (0.56) IKBKBCHUKROCK1
SCHEMBL3417614 0.75 PRKCI (0.37) IKBKBCHUKROCK1PRKCIDAO
SCHEMBL3418231 0.74 PRKCI (0.40) IKBKBCHUKROCK1PRKCIDAO

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 4 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-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

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 8/4885ROCK1 467/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885ROCK1 550/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ROCK1 467/4885

“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.

Send feedback