SCHEMBL2987889

SCHEMBL2987889

Cc1cc2c(-c3ccc(S(=O)(=O)NCC(C)(C)O)nc3)ccnc2[nH]1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.77
CHUK O15111 14/20 0.77
ROCK1 Q13464 1/20 0.53
NEK1 Q96PY6 1/20 0.53
AURKB Q96GD4 1/20 0.50
AURKAIP1 Q9NWT8 1/20 0.50
MAP3K5 Q99683 1/20 0.44
CIT O14578 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
KIT P10721 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL2993105 0.93 IKBKB (0.68) IKBKBCHUKROCK1NEK1AURKB
SCHEMBL3416141 0.87 IKBKB (1.00) IKBKBCHUKROCK1NEK1AURKB
SCHEMBL2991439 0.85 IKBKB (0.79) IKBKBCHUKNEK1CIT
SCHEMBL2993108 0.84 IKBKB (0.56) IKBKBCHUKROCK1NEK1AURKB
SCHEMBL2997157 0.83 IKBKB (0.59) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2996340 0.83 IKBKB (0.59) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2988401 0.83 IKBKB (0.59) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2994179 0.82 IKBKB (0.59) IKBKBCHUKROCK1AURKBAURKAIP1
Trifluoroacetic Acid SCHEMBL3416173 0.81 IKBKB (0.87) IKBKBCHUKROCK1NEK1AURKB
SCHEMBL2987774 0.81 IKBKB (0.77) IKBKBCHUKROCK1NEK1AURKB

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
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 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 (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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 IKBKB 11/4885CHUK 22/4885ROCK1 996/4885

“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.