SCHEMBL2993450

SCHEMBL2993450

O=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(C(F)(F)F)cc34)nc2)C1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.68
CHUK O15111 15/20 0.68
TDO2 P48775 1/20 0.43
KMT2A Q03164 1/20 0.42
CSNK1D P48730 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 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
SCHEMBL2986595 0.95 IKBKB (0.75) IKBKBCHUKTDO2CSNK1DMAPK14
SCHEMBL2992040 0.91 IKBKB (0.73) IKBKBCHUKTDO2KMT2AKDM4E
SCHEMBL2993449 0.90 IKBKB (0.59) IKBKBCHUKCSNK1DMAPK14
Trifluoroacetic Acid SCHEMBL2990243 0.90 IKBKB (0.69) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2986596 0.89 IKBKB (0.64) IKBKBCHUKCSNK1DMAPK14
SCHEMBL3416931 0.88 IKBKB (0.74) IKBKBCHUKTDO2KMT2A
SCHEMBL2982305 0.86 IKBKB (0.81) IKBKBCHUK
SCHEMBL2990350 0.85 IKBKB (0.59) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2994240 0.85 IKBKB (0.58) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2987839 0.84 IKBKB (0.70) IKBKBCHUKTDO2KMT2AKDM4E

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 7 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
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 22/4885TDO2 1291/4885

“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.