SCHEMBL2986197

SCHEMBL2986197

C[C@H](CO)NS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)nc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.79
CHUK O15111 14/20 0.79
CIT O14578 1/20 0.48
CSNK1D P48730 1/20 0.44
MAPK14 Q16539 1/20 0.44
TDO2 P48775 2/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
ROCK1 Q13464 2/20 0.39
CYP2C9 P11712 1/20 0.38
AURKB Q96GD4 1/20 0.36
AURKAIP1 Q9NWT8 1/20 0.36

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
SCHEMBL2988385 1.00 IKBKB (0.79) IKBKBCHUKCITCSNK1DMAPK14
SCHEMBL3415455 0.88 IKBKB (1.00) IKBKBCHUKCITTDO2ROCK1
SCHEMBL3411516 0.88 IKBKB (1.00) IKBKBCHUKCITTDO2ROCK1
Hydrochloric Acid SCHEMBL3415422 0.88 IKBKB (1.00) IKBKBCHUKCITTDO2ROCK1
SCHEMBL2987850 0.86 IKBKB (0.58) IKBKBCHUKCITTDO2ROCK1
SCHEMBL2991466 0.86 IKBKB (0.58) IKBKBCHUKCITTDO2ROCK1
SCHEMBL2984153 0.86 IKBKB (0.59) IKBKBCHUKCITCSNK1DMAPK14
SCHEMBL2987894 0.86 IKBKB (0.59) IKBKBCHUKCITCSNK1DMAPK14
SCHEMBL2994200 0.86 IKBKB (0.59) IKBKBCHUKCITCSNK1DMAPK14
SCHEMBL2989913 0.85 IKBKB (0.79) IKBKBCHUKCITCSNK1DMAPK14

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 8 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
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP 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 22/4885CIT 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.