SCHEMBL2991675

SCHEMBL2991675

CC(C)(CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)cn1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.60
CHUK O15111 14/20 0.60
CIT O14578 1/20 0.52
ALOX5AP P20292 4/20 0.43
FEN1 P39748 4/20 0.43
ROCK1 Q13464 1/20 0.40
AURKB Q96GD4 1/20 0.39
AURKAIP1 Q9NWT8 1/20 0.39
CSNK1D P48730 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3414503 0.89 IKBKB (0.73) IKBKBCHUKCITROCK1AURKB
SCHEMBL2997157 0.87 IKBKB (0.59) IKBKBCHUKCITROCK1AURKB
Trifluoroacetic Acid SCHEMBL2989328 0.85 IKBKB (0.53) IKBKBCHUKCITALOX5APFEN1
SCHEMBL2988682 0.85 IKBKB (0.79) IKBKBCHUKCITALOX5APFEN1
SCHEMBL2991988 0.83 IKBKB (0.80) IKBKBCHUKCITALOX5APFEN1
SCHEMBL2988012 0.83 IKBKB (0.80) IKBKBCHUKCITALOX5APFEN1
SCHEMBL2990321 0.83 IKBKB (0.62) IKBKBCHUKCITCYP2C9
SCHEMBL2990293 0.82 IKBKB (0.60) IKBKBCHUKCITALOX5APFEN1
SCHEMBL2989356 0.82 IKBKB (0.60) IKBKBCHUKCITALOX5APFEN1
SCHEMBL2984153 0.82 IKBKB (0.59) IKBKBCHUKCITALOX5APFEN1

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
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US claimed
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP claimed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO claimed
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

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 22/4885CIT 843/4885

“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.