SCHEMBL619338

SCHEMBL619338

Brc1ccc(CN2CCCC2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
TDP1 Q9NUW8 5/20 0.71
ALDH1A1 P00352 4/20 0.71
L3MBTL1 Q9Y468 2/20 0.61
MAPT P10636 3/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.52
ADRA1D P25100 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
MEN1 O00255 1/20 0.50
HRH3 Q9Y5N1 2/20 0.43
TP53 P04637 2/20 0.41
HSP90AB1 P08238 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL621117 0.98 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL1474097 0.98 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL622324 0.96 KDM4E (0.71) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL13940653 0.86 KDM4E (0.69) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL1928227 0.85 KDM4E (0.67) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL14852476 0.83 KDM4E (1.00) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL11329325 0.83 ALDH1A1 (0.62) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL16480153 0.80 KDM4E (0.66) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL226521 0.79 TDP1 (0.51) KDM4ETDP1ALDH1A1L3MBTL1MAPT
SCHEMBL22390404 0.77 KDM4E (0.57) KDM4ETDP1ALDH1A1L3MBTL1MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 US disclosed
CN-101677547-A Indole carboxamides as the IKK2 inhibitor SMITHKLINE BEECHAM CORP 2010-03-24 CN disclosed
EP-2139322-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS Smithkline Beecham Corporation (US) 2010-01-06 EP disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 WO disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 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 (2 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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA KDM4E 1066/4885TDP1 2299/4885ALDH1A1 3293/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA KDM4E 1090/4885TDP1 2300/4885ALDH1A1 3303/4885

“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.