SCHEMBL2128264

SCHEMBL2128264

CSc1nc(N2CCOCC2)cc(C)c1C(=O)NCc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
S1PR3 Q99500 1/20 0.46
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
PIK3CA P42336 5/20 0.42
PIK3CD O00329 3/20 0.42
AKT1 P31749 3/20 0.42
PIK3CB P42338 3/20 0.42
LMNA P02545 2/20 0.42
PIK3CG P48736 2/20 0.41
NAPEPLD Q6IQ20 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL2129948 0.91 PPARG (0.47) PPARGS1PR3CYP3A4ALDH1A1CYP1A2
SCHEMBL2130924 0.91 TP53 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL2131731 0.89 MEN1 (0.52) CYP3A4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL2129409 0.88 SRC (0.47) ALDH1A1HPGDPIK3CAPIK3CDAKT1
SCHEMBL2129989 0.88 NAPEPLD (0.42) CYP3A4ALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL2130908 0.86 BRAF (0.48) PIK3CALMNANAPEPLDMAPT
SCHEMBL30794535 0.86 BRAF (0.48) PIK3CALMNANAPEPLDMAPT
SCHEMBL2130655 0.85 MMP13 (0.44) PPARGS1PR3CYP3A4ALDH1A1CYP1A2
SCHEMBL30795660 0.85 MMP13 (0.44) PPARGS1PR3CYP3A4ALDH1A1CYP1A2
SCHEMBL2129195 0.85 KCNQ3 (0.51) PPARGS1PR3CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318556-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2018-05-09 EP claimed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US claimed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US claimed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US claimed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-3318556-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2018-05-09 EP disclosed
EP-2630123-B1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US 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 (3 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 PPARG 968/4885S1PR3 1814/4885CYP3A4 1523/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 PPARG 968/4885S1PR3 1814/4885CYP3A4 1523/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 PPARG 968/4885S1PR3 1814/4885CYP3A4 1523/4885

“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.