SCHEMBL2996331

SCHEMBL2996331

Cc1cc2c(-c3ccc(S(=O)(=O)NC4CCNCC4)nc3)ccnc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.79
CHUK O15111 19/20 0.79
ROCK1 Q13464 1/20 0.47
AURKB Q96GD4 1/20 0.46
AURKAIP1 Q9NWT8 1/20 0.46
CASP3 P42574 1/20 0.43
CDK9 P50750 1/20 0.43
CASP7 P55210 1/20 0.43
CYP2C9 P11712 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
SCHEMBL2986634 0.89 IKBKB (0.64) IKBKBCHUKCASP3CDK9CASP7
SCHEMBL2986191 0.88 IKBKB (0.86) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2986194 0.88 IKBKB (1.00) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2988214 0.88 IKBKB (0.62) IKBKBCHUKCASP3CDK9CASP7
SCHEMBL3418133 0.87 IKBKB (0.78) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2981756 0.85 IKBKB (0.59) IKBKBCHUKCASP3CDK9CASP7
SCHEMBL2991397 0.85 IKBKB (0.59) IKBKBCHUKCASP3CDK9CASP7
Trifluoroacetic Acid SCHEMBL3415848 0.81 IKBKB (0.67) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2987762 0.80 IKBKB (0.79) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL13241053 0.79 CHUK (0.64) IKBKBCHUKROCK1AURKBAURKAIP1

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 9 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
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.