SCHEMBL2987805

SCHEMBL2987805

O=S1(=O)CCC(NS(=O)(=O)c2ccc(Br)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.52
CHUK O15111 11/20 0.52
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 1/20 0.38
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37
HSD17B10 Q99714 1/20 0.36
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL2987803 0.88 IKBKB (0.43) IKBKBCHUKMAPK1HTTUCHL1
SCHEMBL3415505 0.78 MAPK1 (0.69) IKBKBCHUKMAPK1HTTKDM1A
SCHEMBL2986429 0.73 L3MBTL1 (0.45) IKBKBCHUKMAPK1KMT2AKDM4E
SCHEMBL2991150 0.71 APEX1 (0.40) HTTKDM4EMAPT
SCHEMBL2977630 0.70 KDM4E (0.52) MAPK1HTTUSP30HSD17B10KDM4E
SCHEMBL3417814 0.70 KMT2A (0.63) IKBKBCHUKMAPK1HTTKDM1A
SCHEMBL3418171 0.70 KMT2A (0.63) IKBKBCHUKMAPK1HTTKDM1A
SCHEMBL3411208 0.70 KMT2A (0.63) IKBKBCHUKMAPK1HTTKDM1A
SCHEMBL2994739 0.70 IKBKB (0.51) IKBKBCHUKMAPK1KMT2AKDM4E
SCHEMBL2985529 0.69 ALDH1A1 (0.72) IKBKBCHUKKMT2AKDM4E

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 4 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
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 22/4885MAPK1 122/4885

“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.