SCHEMBL2649525

SCHEMBL2649525

Brc1cccc(OCc2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.60
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
KCNH2 Q12809 1/20 0.49
PARP10 Q53GL7 1/20 0.48
SOD1 P00441 1/20 0.48
NOS1 P29475 1/20 0.46
HMOX2 P30519 1/20 0.46
GPR132 Q9UNW8 1/20 0.45

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
SCHEMBL29468767 1.00 MAOB (0.60) MAOBTLR4TLR2HTTRAB9A
SCHEMBL3951266 0.84 KDM4E (0.51) TLR4TLR2HTTRAB9AALDH1A1
SCHEMBL22964159 0.81 TLR4 (0.53) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL21568937 0.81 KDM4E (0.63) RAB9AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL12291527 0.81 KDM4E (0.48) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13645800 0.80 KDM4E (0.55) TLR4TLR2HTTALDH1A1KDM4E
SCHEMBL22597086 0.80 TLR4 (0.52) TLR4TLR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL791890 0.80 FFAR1 (0.61) MAOBTLR4TLR2RAB9A
SCHEMBL9719812 0.80 MAOB (0.60) MAOBTLR4TLR2ALDH1A1KDM4E
SCHEMBL6445371 0.80 KCNH2 (0.67) MAOBTLR4TLR2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
US-9663533-B2 Thieno[3,2-C]pyridin-4(5H)-ones as BET inhibitors GLAXOSMITHKLINE LLC (US) 2017-05-30 US disclosed
EP-2920183-B1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-03-08 EP disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
US-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC 2016-10-13 US disclosed
EP-2920183-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS Glaxosmithkline LLC (US) 2015-09-23 EP disclosed
WO-2014078257-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-22 WO disclosed
US-6960598-B2 (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. 2005-11-01 US disclosed
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 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-20160297832-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS BRD4, BET1, BRD3 MAOB 1195/4885TLR4 2384/4885TLR2 1968/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 MAOB 183/4885TLR4 1271/4885TLR2 1641/4885

“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.