SCHEMBL22626

SCHEMBL22626

Cc1c(C(=O)NCc2ccc(F)cc2)c(C(C)C)nc2cc(C#N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
SLC2A1 P11166 1/20 0.44
SLC2A2 P11168 1/20 0.44
SLC2A3 P11169 1/20 0.44
SLC2A4 P14672 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
POLB P06746 3/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL30795980 1.00 CTNNB1 (0.47) CTNNB1TCF7L2SLC2A1SLC2A2SLC2A3
SCHEMBL30824680 0.90 S1PR3 (0.42) CTNNB1TCF7L2SLC2A1SLC2A2SLC2A3
SCHEMBL22271 0.90 S1PR3 (0.42) CTNNB1TCF7L2SLC2A1SLC2A2SLC2A3
SCHEMBL30795753 0.85 L3MBTL1 (0.48) CTNNB1TCF7L2SMN1; SMN2HTTPOLB
SCHEMBL22343 0.85 L3MBTL1 (0.48) CTNNB1TCF7L2SMN1; SMN2HTTPOLB
SCHEMBL30795590 0.85 SMN1; SMN2 (0.46) CTNNB1TCF7L2SMN1; SMN2HTTPOLB
SCHEMBL22402 0.85 SMN1; SMN2 (0.46) CTNNB1TCF7L2SMN1; SMN2HTTPOLB
SCHEMBL22217 0.85 KCNQ3 (0.55) CTNNB1TCF7L2SMN1; SMN2HTTPOLB
SCHEMBL30824643 0.85 KCNQ3 (0.55) CTNNB1TCF7L2SMN1; SMN2HTTPOLB
SCHEMBL22717 0.83 SMN1; SMN2 (0.44) CTNNB1TCF7L2SMN1; SMN2HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US claimed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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 (1 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-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CTNNB1 3098/4885TCF7L2 2695/4885SLC2A1 1707/4885

“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.