SCHEMBL2985378

SCHEMBL2985378

O=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4c3cc(C(F)F)n4S(=O)(=O)c3ccccc3)nc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.56
CHUK O15111 12/20 0.56
KMT2A Q03164 1/20 0.36
BRD4 O60885 2/20 0.35
PARG Q86W56 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2985375 0.93 IKBKB (0.47) IKBKBCHUKPARGHTR1AHTR7
SCHEMBL3415805 0.89 IKBKB (0.54) IKBKBCHUKKMT2ABRD4HTR1A
SCHEMBL2984107 0.89 IKBKB (0.63) IKBKBCHUKKMT2ABRD4
SCHEMBL3415345 0.85 IKBKB (0.49) IKBKBCHUKKMT2ABRD4
SCHEMBL2980033 0.83 IKBKB (0.39) IKBKBCHUKKMT2ABRD4HTR1A
SCHEMBL3415802 0.82 IKBKB (0.46) IKBKBCHUKHTR1AHTR7
SCHEMBL2984105 0.82 IKBKB (0.53) IKBKBCHUKHTR1AHTR7
SCHEMBL3638166 0.81 CCR8 (0.40) IKBKBCHUKHTR1AHTR7ALDH1A1
SCHEMBL3432316 0.81 IKBKB (0.61) IKBKBCHUKKMT2AHTR1AHTR7
SCHEMBL13241047 0.80 PTGDR2 (0.36)

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 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

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 22/4885KMT2A 1503/4885

“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.