SCHEMBL2986429

SCHEMBL2986429

CN(C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.35
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
EDNRA P25101 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2986426 0.88 L3MBTL1 (0.36) L3MBTL1GAAIKBKBCHUKKMT2A
SCHEMBL4261741 0.73 GBA1 (0.39) KMT2ASMN1; SMN2LMNANPC1MAPT
SCHEMBL2987805 0.73 IKBKB (0.52) IKBKBCHUKKMT2AMAPTKDM4E
SCHEMBL2984060 0.71 L3MBTL1 (0.51) L3MBTL1GAAIKBKBCHUKKMT2A
SCHEMBL2986660 0.71 IKBKB (0.78) IKBKBCHUK
SCHEMBL2986585 0.69 IKBKB (0.62) IKBKBCHUK
SCHEMBL2991150 0.69 APEX1 (0.40) GAALMNAMAPTALDH1A1KDM4E
SCHEMBL2986621 0.69 IKBKB (0.64) IKBKBCHUK
SCHEMBL13266015 0.69 IKBKB (0.44) L3MBTL1GAAIKBKBCHUK
SCHEMBL4261442 0.66 GBA1 (0.47) GAAKMT2ASMN1; SMN2LMNANPC1

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 L3MBTL1 4866/4885GAA 2061/4885IKBKB 11/4885

“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.