SCHEMBL2990350

SCHEMBL2990350

O=S(=O)(NC1CCNCC1)c1ccc(-c2ccnc3[nH]c(C(F)(F)F)cc23)nc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.59
CHUK O15111 16/20 0.59
CSNK1D P48730 1/20 0.42
MAPK14 Q16539 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
WNT3 P56703 1/20 0.41
SFRP1 Q8N474 1/20 0.41
PIK3CA P42336 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2977485 0.91 IKBKB (0.64) IKBKBCHUKALOX5APFEN1
SCHEMBL2994240 0.90 IKBKB (0.58) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2986595 0.89 IKBKB (0.75) IKBKBCHUKCSNK1DMAPK14FEN1
SCHEMBL2986596 0.88 IKBKB (0.64) IKBKBCHUKCSNK1DMAPK14
SCHEMBL3416285 0.87 IKBKB (0.65) IKBKBCHUK
Hydrochloric Acid SCHEMBL3413989 0.87 IKBKB (0.65) IKBKBCHUK
Hydrochloric Acid SCHEMBL3417239 0.87 IKBKB (0.65) IKBKBCHUK
Formic Acid SCHEMBL2981787 0.86 IKBKB (0.54) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2993450 0.85 IKBKB (0.68) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2987762 0.85 IKBKB (0.79) IKBKBCHUK

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 9 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
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP claimed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO 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 22/4885CSNK1D 124/4885

“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.