SCHEMBL20037

SCHEMBL20037

Cc1c(C(=O)NCc2cccc(F)c2)c(C2CC2)nc2cc(C#N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.41
ROCK2 O75116 5/20 0.39
RORC P51449 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
MAOB P27338 1/20 0.38
CHRM4 P08173 1/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL30794953 1.00 MMP13 (0.41) MMP13ROCK2RORCCTNNB1TCF7L2
SCHEMBL30794957 0.90 CTNNB1 (0.47) RORCCTNNB1TCF7L2THRBADORA2A
SCHEMBL21261 0.90 CTNNB1 (0.47) RORCCTNNB1TCF7L2THRBADORA2A
SCHEMBL30794640 0.86 MAOB (0.40) MMP13ROCK2MAOBCHRM4LMNA
SCHEMBL21164 0.86 MAOB (0.40) MMP13ROCK2MAOBCHRM4LMNA
SCHEMBL21363 0.85 CCR1 (0.42) MAOB
SCHEMBL30795932 0.85 CCR1 (0.42) MAOB
SCHEMBL30794701 0.85 KDM4E (0.48) MMP13ROCK2MAOBCHRM4LMNA
SCHEMBL21133 0.85 KDM4E (0.48) MMP13ROCK2MAOBCHRM4LMNA
SCHEMBL22271 0.84 S1PR3 (0.42) MMP13ROCK2CTNNB1TCF7L2MAOB

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 MMP13 4765/4885ROCK2 3802/4885RORC 1816/4885

“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.