SCHEMBL2980723

SCHEMBL2980723

NCCNS(=O)(=O)c1ccc(-c2ccnc3c2cc(C(F)F)n3S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.52
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CAPN1 P07384 8/20 0.34
IKBKB O14920 3/20 0.34
CHUK O15111 3/20 0.34
ROCK1 Q13464 3/20 0.34
P2RY14 Q15391 1/20 0.34
MCL1 Q07820 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL3415657 0.84 IKBKB (0.51) ALOX5APFEN1IKBKBCHUKROCK1
SCHEMBL13266086 0.84 MAP3K5 (0.34) MAP3K5PTGDR2
SCHEMBL13241054 0.84 PTGDR2 (0.36) MAP3K5PTGDR2
SCHEMBL2981737 0.80 TP53 (0.32) PTGDR2
SCHEMBL2980033 0.79 IKBKB (0.39) MAP3K5IKBKBCHUK
SCHEMBL2980032 0.79 MMP1 (0.34) MAP3K5IKBKBCHUK
SCHEMBL2981793 0.78 KMT2A (0.38) IKBKBCHUK
SCHEMBL2981796 0.78 MMP1 (0.32)
SCHEMBL2984751 0.74 MAP3K5 (0.43) MAP3K5CAPN1MCL1PTGDR2
SCHEMBL2985022 0.74 MAP3K5 (0.73) MAP3K5ALOX5APFEN1IKBKBCHUK

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 3 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 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 7/4885ALOX5AP 1502/4885FEN1 2039/4885

“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.