SCHEMBL21133

SCHEMBL21133

CCc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ROCK2 O75116 5/20 0.40
MAOB P27338 1/20 0.40
CHRM4 P08173 1/20 0.39
S1PR3 Q99500 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 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
SCHEMBL30794701 1.00 KDM4E (0.48) KDM4EL3MBTL1MMP13ALDH1A1LMNA
SCHEMBL30795753 0.90 L3MBTL1 (0.48) KDM4EL3MBTL1ALDH1A1LMNAADORA2A
SCHEMBL22343 0.90 L3MBTL1 (0.48) KDM4EL3MBTL1ALDH1A1LMNAADORA2A
SCHEMBL20954 0.86 MAPK8 (0.42) KDM4EL3MBTL1MMP13ROCK2MAOB
SCHEMBL30824641 0.86 MAPK8 (0.42) KDM4EL3MBTL1MMP13ROCK2MAOB
SCHEMBL20473 0.86 MMP13 (0.47) MMP13ROCK2MAOB
SCHEMBL30824684 0.86 MMP13 (0.47) MMP13ROCK2MAOB
SCHEMBL22271 0.86 S1PR3 (0.42) MMP13ROCK2MAOBCHRM4S1PR3
SCHEMBL30824680 0.86 S1PR3 (0.42) MMP13ROCK2MAOBCHRM4S1PR3
SCHEMBL21478 0.86 LMNA (0.52) KDM4EL3MBTL1ALDH1A1LMNAROCK2

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 9 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
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

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 KDM4E 810/4885L3MBTL1 3299/4885MMP13 4765/4885

“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.