SCHEMBL2992897

SCHEMBL2992897

Cc1cc2c(-c3ccc(S(=O)(=O)NC4CCS(O)(O)CC4)cn3)ccnc2[nH]1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.84
CHUK O15111 17/20 0.84
KIT P10721 3/20 0.45
ROCK1 Q13464 1/20 0.45
AURKB Q96GD4 1/20 0.42
AURKAIP1 Q9NWT8 1/20 0.42

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
SCHEMBL2992899 0.91 IKBKB (1.00) IKBKBCHUKKITROCK1
SCHEMBL2982303 0.90 IKBKB (0.69) IKBKBCHUK
SCHEMBL2982589 0.89 IKBKB (0.84) IKBKBCHUKKITROCK1
SCHEMBL2985434 0.88 IKBKB (0.66) IKBKBCHUK
SCHEMBL2987762 0.87 IKBKB (0.79) IKBKBCHUKKITROCK1AURKB
SCHEMBL3412679 0.87 IKBKB (0.83) IKBKBCHUKROCK1AURKBAURKAIP1
SCHEMBL2986596 0.86 IKBKB (0.64) IKBKBCHUK
SCHEMBL2977817 0.86 IKBKB (0.64) IKBKBCHUK
SCHEMBL2992042 0.85 IKBKB (0.64) IKBKBCHUK
SCHEMBL2993304 0.83 IKBKB (0.66) 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 2 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

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 22/4885KIT 1292/4885

“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.