SCHEMBL2133149

SCHEMBL2133149

Cc1cc(N2CCOCC2)nc(Cl)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
NAPEPLD Q6IQ20 1/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CD O00329 1/20 0.46
EPHX2 P34913 1/20 0.45
PIK3CG P48736 1/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
NTRK1 P04629 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCD O00767 2/20 0.44
SCD5 Q86SK9 1/20 0.44
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43

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
SCHEMBL2134192 0.90 SRC (0.49) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2129359 0.90 SRC (0.49) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL30795947 0.90 SRC (0.49) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL30795803 0.89 SRC (0.47) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2129743 0.89 SRC (0.47) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2128633 0.89 EPHX2 (0.48) EPHX2MEN1KMT2ASCD
SCHEMBL2129755 0.88 NAPEPLD (0.48) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2129643 0.88 SMN1; SMN2 (0.47) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL30794748 0.88 SMN1; SMN2 (0.47) SRCNAPEPLDPIK3CAPIK3CBPIK3CD
SCHEMBL2130397 0.88 SRC (0.47) SRCNAPEPLDPIK3CAPIK3CBPIK3CD

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-3318556-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2018-05-09 EP disclosed
EP-2630123-B1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2017-12-20 EP disclosed
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 US disclosed
EP-2630123-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-08-28 EP disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 US disclosed
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-04-26 US disclosed
WO-2012052167-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-04-26 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 (3 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 SRC 3988/4885NAPEPLD 596/4885PIK3CA 1011/4885
US-20120101079-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 SRC 3988/4885NAPEPLD 596/4885PIK3CA 1011/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 SRC 3988/4885NAPEPLD 596/4885PIK3CA 1011/4885

“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.