SCHEMBL29211

SCHEMBL29211

Cc1c(C(=O)NCc2cccc(F)c2)c(N2CCCC2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CALCA P06881 1/20 0.45
BRAF P15056 2/20 0.44
MET P08581 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
P2RY12 Q9H244 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
TP53 P04637 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL29079 0.93 BRAF (0.46) BRAFMETKDM4ECCR1TSHR
SCHEMBL29019 0.90 CTNNB1 (0.47) SMN1; SMN2BRAFTP53
SCHEMBL20313 0.85 MLYCD (0.45) CCR1KMT2A
SCHEMBL22408 0.84 ALDH1A1 (0.46) LMNACCR1KMT2A
SCHEMBL30039 0.83 MAPK1 (0.43) CCR1KMT2A
SCHEMBL21419 0.83 TACR1 (0.51) KDM4ECCR1KMT2A
SCHEMBL30478 0.83 MLYCD (0.43) CCR1KMT2A
SCHEMBL20628 0.83 KDM4E (0.49) LMNAKDM4ECCR1KMT2A
SCHEMBL30795400 0.83 KDM4E (0.49) LMNAKDM4ECCR1KMT2A
SCHEMBL22261 0.83 CCR1 (0.41) CALCALMNACCR1TSHRKMT2A

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 SMN1; SMN2 1809/4885CALCA 572/4885BRAF 2455/4885

“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.