SCHEMBL21261

SCHEMBL21261

Cc1c(C(=O)NCc2ccc(F)cc2)c(C2CC2)nc2cc(C#N)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.47
TCF7L2 Q9NQB0 4/20 0.47
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CXCR3 P49682 2/20 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
SCHEMBL30794957 1.00 CTNNB1 (0.47) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3
SCHEMBL30794953 0.90 MMP13 (0.41) CTNNB1TCF7L2RORCADORA2ATHRB
SCHEMBL20037 0.90 MMP13 (0.41) CTNNB1TCF7L2RORCADORA2ATHRB
SCHEMBL30795612 0.86 HTT (0.44) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3
SCHEMBL21069 0.86 HTT (0.44) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3
SCHEMBL30794603 0.84 HTT (0.43) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3
SCHEMBL22677 0.84 HTT (0.43) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3
SCHEMBL22343 0.84 L3MBTL1 (0.48) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3
SCHEMBL30795753 0.84 L3MBTL1 (0.48) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3
SCHEMBL22217 0.83 KCNQ3 (0.55) CTNNB1TCF7L2HTTSMN1; SMN2KCNQ3

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 10 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
WO-2012025238-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
US-20120053204-A1 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS 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 2695/4885HTT 1442/4885

“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.