SCHEMBL558473

SCHEMBL558473

Cc1ccc2nc(NC(=S)n3ccnc3)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
RAB9A P51151 13/20 0.49
NPC1 O15118 13/20 0.49
SMN1; SMN2 Q16637 10/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
STAT1 P42224 1/20 0.49
OPRK1 P41145 1/20 0.49
TP53 P04637 3/20 0.48
ACP1 P24666 1/20 0.48
PTPN1 P18031 1/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
ALDH1A1 P00352 5/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL559463 0.86 QPCT (0.54) DYRK1ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6764542 0.86 DYRK1A (0.61) DYRK1ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL558199 0.85 NPC1 (0.60) DYRK1ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL558338 0.84 LDHA (0.60) DYRK1ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL557793 0.83 MAPT (0.56) DYRK1ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL558177 0.82 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL558550 0.80 DYRK1A (0.45) DYRK1ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL558489 0.80 NPC1 (0.43) DYRK1ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL559073 0.76 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTHTT
SCHEMBL21914838 0.76 DYRK1A (0.63) DYRK1ARAB9ANPC1SMN1; SMN2MAPT

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434721-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2016-09-06 US disclosed
US-9434721-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2016-09-06 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-01-07 US disclosed
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2010-01-07 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
WO-2009131926-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-29 WO disclosed
US-7582635-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. 2009-09-01 US disclosed
US-7582635-B2 Therapeutic agents useful for treating pain PURDUE PHARMA, L.P. 2009-09-01 US disclosed
WO-2004058754-A1 BENZOAZOLYPIPERAZINE DERIVATIVES HAVING MGLUR1- AND MGLUR5-ANTAGONISTIC ACTIVITY EURO-CELTIQUE S.A. (LU) 2004-07-15 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 (6 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885RAB9A 333/4885NPC1 896/4885
US-20100004254-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CDR2, GRIN1, HRH2 DYRK1A 4279/4885RAB9A 1880/4885NPC1 1278/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885RAB9A 333/4885NPC1 896/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885RAB9A 333/4885NPC1 896/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885RAB9A 333/4885NPC1 896/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885RAB9A 333/4885NPC1 896/4885

“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.