SCHEMBL29751

SCHEMBL29751

Cc1c(C(=O)NCc2cccc(F)c2)c(=O)n(C)c2cc(C#N)ccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
CASP3 P42574 1/20 0.42
S1PR3 Q99500 1/20 0.41
PDE10A Q9Y233 1/20 0.41
TSHR P16473 1/20 0.41
ALOX5 P09917 1/20 0.41
EPHX2 P34913 1/20 0.41
NAMPT P43490 1/20 0.41
SCD O00767 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 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
SCHEMBL30794737 1.00 ROCK2 (0.48) ROCK2KMT2AMEN1NPC1RAB9A
SCHEMBL30795389 0.89 MEN1 (0.56) KMT2AMEN1NPC1RAB9AHIF1A
SCHEMBL29877 0.89 MEN1 (0.56) KMT2AMEN1NPC1RAB9AHIF1A
SCHEMBL30795447 0.89 KMT2A (0.54) ROCK2KMT2AMEN1NPC1RAB9A
SCHEMBL28622 0.89 KMT2A (0.54) ROCK2KMT2AMEN1NPC1RAB9A
SCHEMBL713657 0.88 S1PR3 (0.43) ROCK2NPC1RAB9ACASP3S1PR3
SCHEMBL30794688 0.88 S1PR3 (0.43) ROCK2NPC1RAB9ACASP3S1PR3
SCHEMBL713993 0.86 KMT2A (0.61) ROCK2KMT2AMEN1NPC1RAB9A
SCHEMBL30795231 0.86 KMT2A (0.61) ROCK2KMT2AMEN1NPC1RAB9A
SCHEMBL29744 0.85 MEN1 (0.51) ROCK2KMT2AMEN1NPC1RAB9A

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-2609086-B1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP claimed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US claimed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2609086-B1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609086-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025239-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-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-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 ROCK2 4161/4885KMT2A 217/4885MEN1 4185/4885

“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.