SCHEMBL2746641

SCHEMBL2746641

CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3F)nc3occn23)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 17/20 0.79
MAPK9 P45984 15/20 0.79
PRKD3 O94806 15/20 0.79
MAP4K4 O95819 15/20 0.79
CSNK1A1 P48729 12/20 0.79
PRKD2 Q9BZL6 12/20 0.79
MAPK8 P45983 10/20 0.79
GSK3B P49841 10/20 0.79
CSNK1G3 Q9Y6M4 8/20 0.79
CSNK1G2 P78368 7/20 0.79
CSNK1G1 Q9HCP0 4/20 0.79
MINK1 Q8N4C8 12/20 0.59
TAOK1 Q7L7X3 8/20 0.59
EGFR P00533 3/20 0.59
MAPK14 Q16539 2/20 0.59
MAP4K5 Q9Y4K4 5/20 0.56
LIMK1 P53667 4/20 0.56
FGFR1 P11362 3/20 0.56
PLK3 Q9H4B4 1/20 0.56
CLK4 Q9HAZ1 3/20 0.56

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
SCHEMBL2745733 0.92 CSNK1D (0.76) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL12023484 0.88 MAPK9 (1.00) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL2745079 0.84 MAPK9 (0.71) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL2746009 0.83 MAPK9 (0.70) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL2745911 0.80 MAPK9 (0.73) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL1728723 0.77 MAPK9 (0.80) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL4300868 0.74 MAP4K4 (0.55) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL3523159 0.74 MAPK9 (1.00) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL3818285 0.73 MAP4K4 (0.77) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1
SCHEMBL12023290 0.73 PRKD3 (0.74) CSNK1DMAPK9PRKD3MAP4K4CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
US-8178672-B2 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 MAP kinase ARQULE, INC. (US) 2012-05-15 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. (US) 2011-12-08 US disclosed
EP-1633758-B1 IMIDAZOTHIAZOLES AND IMIDAZOXAZOLE DERIVATIVES AS INHIBITORS OF P38 ARQULE INC (US) 2011-11-23 EP disclosed
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US disclosed
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed
EP-2258704-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ArQule, Inc. (US) 2010-12-08 EP disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 US disclosed
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase ARQULE, INC. 2009-04-30 US disclosed
US-20070270418-A1 Inhibitors of P38 and Methods of Using the Same ARQULE, INC. 2007-11-22 US disclosed
EP-1809636-A1 SYNTHESIS OF IMIDAZOOXAZOLE AND IMIDAZOTHIAZOLE INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2007-07-25 EP disclosed
WO-2006044869-A1 SYNTHESIS OF IMIDAZOOXAZOLE AND IMIDAZOTHIAZOLE INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-04-27 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-20070270418-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK8, MAPK7 CSNK1D 1438/4885MAPK9 31/4885PRKD3 541/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 CSNK1D 499/4885MAPK9 39/4885PRKD3 607/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 CSNK1D 1278/4885MAPK9 35/4885PRKD3 507/4885

“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.