SCHEMBL4286489

SCHEMBL4286489

Cc1nn(C)cc1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 7/20 0.58
MAPK14 Q16539 5/20 0.58
CSNK1E P49674 4/20 0.58
MAPK11 Q15759 4/20 0.58
MAPK13 O15264 2/20 0.58
MAPK12 P53778 2/20 0.58
MAP4K4 O95819 2/20 0.48
MAPK9 P45984 2/20 0.48
CSNK1A1 P48729 2/20 0.48
EGFR P00533 1/20 0.48
FRK P42685 1/20 0.48
COMT P21964 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SCN4A P35499 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL14996594 0.84 SMN1; SMN2 (0.51) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL14996664 0.81 POLB (0.54) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL14996542 0.80 MAPK13 (0.43) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL3761896 0.80 COMT (0.49) COMTNPC1RAB9AALDH1A1PRMT5
SCHEMBL15478684 0.79 CSNK1D (0.57) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL17610305 0.79 CSNK1D (0.57) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL18124166 0.79 MAPK1 (0.44) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL19998583 0.79 USP30 (0.46) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL12859266 0.78 CSNK1D (0.55) CSNK1DMAPK14CSNK1EMAPK11MAPK13
SCHEMBL17806577 0.78 COMT (0.44) CSNK1DMAPK14CSNK1EMAPK11MAPK13

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 US disclosed
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-7928124-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-04-19 US disclosed
US-7928125-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-04-19 US disclosed
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7897618-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-03-01 US disclosed
US-7893090-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM LIMITED (GB) 2011-02-22 US disclosed
EP-2281810-A1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Sinochem Corporation (CN) 2011-02-09 EP disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7470710-B2 N-aroyl cyclic amine derivatives as orexin receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-30 US disclosed
US-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. 2008-12-25 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 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
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP 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-20080318944-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CSNK1D 1604/4885MAPK14 2473/4885CSNK1E 1729/4885
US-20090012083-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR CSNK1D 1604/4885MAPK14 2473/4885CSNK1E 1729/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R CSNK1D 2374/4885MAPK14 468/4885CSNK1E 2379/4885

“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.