SCHEMBL2977425

SCHEMBL2977425

Cc1cc2c(-c3ccc(S(=O)(=O)NCCN)s3)ccnc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 1.00
IKBKB O14920 14/20 0.66
CHUK O15111 14/20 0.66
ROCK1 Q13464 3/20 0.66
KIT P10721 4/20 0.43
AURKB Q96GD4 1/20 0.41
AURKAIP1 Q9NWT8 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
SCHEMBL2990368 0.90 MAP3K5 (0.82) MAP3K5IKBKBCHUKROCK1KIT
SCHEMBL2991561 0.85 MAP3K5 (0.73) MAP3K5IKBKBCHUKROCK1
SCHEMBL2985022 0.85 MAP3K5 (0.73) MAP3K5IKBKBCHUKROCK1KIT
SCHEMBL2985661 0.84 MAP3K5 (0.72) MAP3K5IKBKBCHUKROCK1
SCHEMBL2984036 0.83 MAP3K5 (0.71) MAP3K5IKBKBCHUKROCK1KIT
SCHEMBL2977496 0.83 MAP3K5 (0.71) MAP3K5IKBKBCHUKROCK1KIT
SCHEMBL2991038 0.83 MAP3K5 (0.71) MAP3K5IKBKBCHUKROCK1KIT
SCHEMBL13241036 0.82 MAP3K5 (0.69) MAP3K5IKBKBCHUKROCK1KIT
SCHEMBL13241038 0.81 MAP3K5 (0.68) MAP3K5IKBKBCHUKROCK1AURKB
Trifluoroacetic Acid SCHEMBL2994701 0.80 MAP3K5 (0.66) MAP3K5IKBKBCHUKROCK1

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 5 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
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 MAP3K5 7/4885IKBKB 11/4885CHUK 22/4885

“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.