SCHEMBL29063

SCHEMBL29063

CCNc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
CTNNB1 P35222 7/20 0.42
TCF7L2 Q9NQB0 7/20 0.42
PTGER4 P35408 1/20 0.42
TACR1 P25103 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30039 0.90 MAPK1 (0.43) TACR1MEN1KMT2AGAA
SCHEMBL23618 0.86 HTT (0.44) HTTSMN1; SMN2KCNQ3KCNQ2PTGER4
SCHEMBL30795981 0.86 L3MBTL1 (0.49) HTTSMN1; SMN2KCNQ3KCNQ2PTGER4
SCHEMBL21060 0.86 L3MBTL1 (0.49) HTTSMN1; SMN2KCNQ3KCNQ2PTGER4
SCHEMBL21336 0.84 KCNQ3 (0.45) HTTSMN1; SMN2KCNQ3KCNQ2PTGER4
SCHEMBL29259 0.84 CTNNB1 (0.43) HTTSMN1; SMN2KCNQ3KCNQ2CTNNB1
SCHEMBL1722444 0.84 SMN1; SMN2 (0.43) HTTSMN1; SMN2KCNQ3KCNQ2CTNNB1
SCHEMBL30795613 0.84 KCNQ3 (0.45) HTTSMN1; SMN2KCNQ3KCNQ2PTGER4
SCHEMBL22574 0.83 KCNQ3 (0.56) HTTSMN1; SMN2KCNQ3KCNQ2PTGER4
SCHEMBL29055 0.83 CTNNB1 (0.45) HTTSMN1; SMN2KCNQ3KCNQ2CTNNB1

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-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
US-8470852-B2 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-06-25 US claimed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 WO claimed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 US claimed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
EP-2609084-A1 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8470852-B2 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-06-25 US disclosed
WO-2012025237-A9 SUBSTITUTED 2-AMINO-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-02-14 WO disclosed
US-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-08-30 US disclosed
WO-2012025237-A1 SUBSTITUTED 2-AMINO-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-20120220627-A1 Substituted 2-amino-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 HTT 1457/4885SMN1; SMN2 1809/4885KCNQ3 3/4885

“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.