SCHEMBL2128601

SCHEMBL2128601

CCSc1nc(N2CCOC[C@H]2C)cc(C)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
MTOR P42345 3/20 0.40
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR1A P08908 1/20 0.38
GABRA1 P14867 1/20 0.38
NUDT1 P36639 1/20 0.38

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
SCHEMBL30795028 1.00 ALDH1A1 (0.43) ALDH1A1GAATSHRKCNQ3KCNQ2
SCHEMBL2128537 0.92 PIK3CD (0.37) MTORPIK3CDPIK3CAHTR1AGABRA1
SCHEMBL2130714 0.92 MTOR (0.40) MTORPIK3CDPIK3CA
SCHEMBL2129205 0.92 MEN1 (0.46) ALDH1A1TSHRMTORPIK3CDPIK3CA
SCHEMBL19721531 0.91 ALDH1A1 (0.44) ALDH1A1GAATSHRKCNQ3KCNQ2
SCHEMBL2131122 0.91 ALDH1A1 (0.44) ALDH1A1GAATSHRKCNQ3KCNQ2
SCHEMBL30794864 0.91 MTOR (0.42) ALDH1A1GAAMTORPIK3CDPIK3CA
SCHEMBL2132349 0.91 MTOR (0.42) ALDH1A1GAAMTORPIK3CDPIK3CA
SCHEMBL2129268 0.91 BRAF (0.41) MTORPIK3CDPIK3CARAF1BRAF
SCHEMBL30795893 0.91 BRAF (0.41) MTORPIK3CDPIK3CARAF1BRAF

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 20 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
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 EP 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
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 WO claimed
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
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 EP 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
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 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 (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 ALDH1A1 2214/4885GAA 3174/4885TSHR 4507/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 ALDH1A1 2214/4885GAA 3174/4885TSHR 4507/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 ALDH1A1 2214/4885GAA 3174/4885TSHR 4507/4885

“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.