SCHEMBL29546

SCHEMBL29546

CNc1ccc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
MCHR1 Q99705 1/20 0.46
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
IDH2 P48735 1/20 0.42
GCG P01275 1/20 0.41
KIF11 P52732 1/20 0.40
DYRK1A Q13627 1/20 0.40
PFKFB3 Q16875 1/20 0.40
METAP2 P50579 1/20 0.40
CCNE2 O96020 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PDE10A Q9Y233 2/20 0.38
EPHX2 P34913 1/20 0.38
SCN4A P35499 1/20 0.38
PKM P14618 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL28070145 0.87 BACE1 (0.59) NCF1MCHR1BACE1KDM4EIDH2
SCHEMBL13552127 0.83 NCF1 (0.52) NCF1MCHR1PKM
SCHEMBL22754 0.77 CYP1A2 (0.55) BACE1KDM4EPFKFB3METAP2PDE10A
SCHEMBL18438822 0.75 BACE1 (0.47) BACE1KDM4EDYRK1APFKFB3METAP2
SCHEMBL30302548 0.73 BACE1 (0.50) BACE1KDM4EPFKFB3METAP2PDE10A
SCHEMBL22717988 0.73 BACE1 (0.76) NCF1MCHR1BACE1KDM4EPFKFB3
SCHEMBL30369296 0.73 BACE1 (0.46) BACE1KDM4EDYRK1APFKFB3METAP2
SCHEMBL22573215 0.73 BACE1 (0.46) BACE1KDM4EDYRK1APFKFB3METAP2
SCHEMBL1721228 0.73 BACE1 (0.50) BACE1KDM4EPFKFB3METAP2PDE10A
SCHEMBL14661207 0.73 KDM4E (0.55) BACE1KDM4EKIF11DYRK1APFKFB3

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 5 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 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 NCF1 3474/4885MCHR1 3706/4885BACE1 3137/4885

“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.