Sugi Predict

Sugi Predict / Compounds / SCHEMBL2997294

SCHEMBL2997294

SCHEMBL2997294

CC(C)(C)c1cc2c(-c3ccc(S(=O)(=O)NCC(O)CO)nc3)ccnc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 15/20 0.61
▸ CHUK O15111 15/20 0.61
▸ ROCK1 Q13464 1/20 0.43
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CIT O14578 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ AURKAIP1 Q9NWT8 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ BRAF P15056 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
SCHEMBL2985032 0.91 IKBKB (0.61) IKBKBCHUKROCK1ALOX5APFEN1
SCHEMBL2994179 0.89 IKBKB (0.59) IKBKBCHUKROCK1ALOX5APFEN1
SCHEMBL2989396 0.87 IKBKB (0.79) IKBKBCHUKROCK1FEN1CIT
Trifluoroacetic Acid SCHEMBL2991199 0.85 IKBKB (0.52) IKBKBCHUKROCK1ALOX5APFEN1
SCHEMBL2990293 0.82 IKBKB (0.60) IKBKBCHUKALOX5APFEN1CIT
SCHEMBL2989356 0.82 IKBKB (0.60) IKBKBCHUKALOX5APFEN1CIT
SCHEMBL2988401 0.79 IKBKB (0.59) IKBKBCHUKROCK1ALOX5APFEN1
SCHEMBL2996340 0.79 IKBKB (0.59) IKBKBCHUKROCK1ALOX5APFEN1
SCHEMBL2988682 0.77 IKBKB (0.79) IKBKBCHUKROCK1ALOX5APFEN1
SCHEMBL2991202 0.76 IKBKB (0.49) IKBKBCHUKROCK1CITAURKB

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 7 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
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.