SCHEMBL1597030

SCHEMBL1597030

Cn1cc(-c2ccc(F)cc2)c(OC=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 10/20 0.49
CSNK1E P49674 7/20 0.49
MAPK14 Q16539 5/20 0.49
MAPK11 Q15759 4/20 0.49
MAPK13 O15264 2/20 0.49
MAPK12 P53778 2/20 0.49
MAP4K4 O95819 2/20 0.41
MAPK9 P45984 2/20 0.41
CSNK1A1 P48729 2/20 0.41
EGFR P00533 1/20 0.41
FRK P42685 1/20 0.41
SCN4A P35499 1/20 0.38
NUAK1 O60285 1/20 0.37
ROCK2 O75116 1/20 0.37
LCK P06239 1/20 0.37
MAPK8 P45983 1/20 0.37
GSK3B P49841 1/20 0.37
MAP2K1 Q02750 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
AURKB Q96GD4 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
SCHEMBL10432598 0.78 CSNK1D (0.48) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL4833694 0.76 CSNK1D (0.53) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL4286489 0.72 CSNK1D (0.58) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL17610305 0.70 CSNK1D (0.57) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL15478684 0.70 CSNK1D (0.57) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL27463414 0.70 KMT2A (0.36) KMT2APOLBADORA2AADORA1
SCHEMBL27446013 0.70 MAPT (0.31) KMT2AADORA2AADORA1
SCHEMBL12859266 0.69 CSNK1D (0.55) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL1257163 0.69 CSNK1D (0.51) CSNK1DCSNK1EMAPK14MAPK11MAPK13
SCHEMBL22309898 0.69 SLC6A4 (0.50) CSNK1DCSNK1EMAPK14MAPK11MAPK13

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 EP disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP disclosed
US-20040143115-A1 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2004-07-22 US disclosed
EP-1385845-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2004-02-04 EP disclosed
WO-2002090355-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 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 (4 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CSNK1D 1185/4885CSNK1E 1190/4885MAPK14 3421/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CSNK1D 1185/4885CSNK1E 1190/4885MAPK14 3421/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB CSNK1D 1185/4885CSNK1E 1190/4885MAPK14 3421/4885
US-20040143115-A1 N-aroyl cyclic amines HCRTR1, HCRTR2, CNR1 CSNK1D 1181/4885CSNK1E 1351/4885MAPK14 3739/4885

“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.