SCHEMBL29019

SCHEMBL29019

Cc1c(C(=O)NCc2ccc(F)cc2)c(N2CCCC2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 9/20 0.47
TCF7L2 Q9NQB0 9/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
BRAF P15056 2/20 0.44
TP53 P04637 2/20 0.43
PTGER4 P35408 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL29211 0.90 SMN1; SMN2 (0.47) SMN1; SMN2BRAFTP53
SCHEMBL29079 0.83 BRAF (0.46) BRAFTP53
SCHEMBL29063 0.82 HTT (0.44) CTNNB1TCF7L2SMN1; SMN2TP53PTGER4
SCHEMBL30795981 0.82 L3MBTL1 (0.49) SMN1; SMN2TP53PTGER4HTT
SCHEMBL21060 0.82 L3MBTL1 (0.49) SMN1; SMN2TP53PTGER4HTT
SCHEMBL22560 0.82 SMN1; SMN2 (0.42) CTNNB1TCF7L2SMN1; SMN2PTGER4HTT
SCHEMBL30795823 0.82 SMN1; SMN2 (0.42) CTNNB1TCF7L2SMN1; SMN2PTGER4HTT
SCHEMBL30794603 0.81 HTT (0.43) CTNNB1TCF7L2SMN1; SMN2PTGER4HTT
SCHEMBL22677 0.81 HTT (0.43) CTNNB1TCF7L2SMN1; SMN2PTGER4HTT
SCHEMBL22574 0.81 KCNQ3 (0.56) SMN1; SMN2TP53PTGER4HTT

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 CTNNB1 2860/4885TCF7L2 2521/4885SMN1; SMN2 1809/4885

“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.