SCHEMBL2746009

SCHEMBL2746009

CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccccc3Cl)nc3occn23)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 9/20 0.70
CSNK1D P48730 9/20 0.70
PRKD2 Q9BZL6 9/20 0.70
PRKD3 O94806 8/20 0.70
CSNK1A1 P48729 7/20 0.70
MAP4K4 O95819 7/20 0.70
MAPK8 P45983 7/20 0.70
CSNK1G2 P78368 6/20 0.70
GSK3B P49841 5/20 0.70
CSNK1G1 Q9HCP0 5/20 0.70
CSNK1G3 Q9Y6M4 5/20 0.70
CLK4 Q9HAZ1 3/20 0.49
CDK2 P24941 1/20 0.49
PIM2 Q9P1W9 1/20 0.49
TAOK1 Q7L7X3 6/20 0.42
MINK1 Q8N4C8 6/20 0.42
MAP4K5 Q9Y4K4 5/20 0.42
MAP3K20 Q9NYL2 3/20 0.42
LCK P06239 2/20 0.42
FRK P42685 2/20 0.42

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
SCHEMBL2745079 0.90 MAPK9 (0.71) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL2745733 0.88 CSNK1D (0.76) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL2746641 0.83 CSNK1D (0.79) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL12023484 0.82 MAPK9 (1.00) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL2745911 0.80 MAPK9 (0.73) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL13023692 0.77 BRAF (0.46) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL3811366 0.73 MAPK8 (0.69) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL2745989 0.72 PRKD3 (0.50) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL2745991 0.72 PRKD3 (0.50) MAPK9CSNK1DPRKD2PRKD3CSNK1A1
SCHEMBL3813008 0.72 MAPK9 (0.71) MAPK9CSNK1DPRKD2PRKD3CSNK1A1

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 16 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
US-7902192-B2 Inhibitors of P38 and methods of using the same ARQULE, INC. (US) 2011-03-08 US 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
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 MAPK9 31/4885CSNK1D 1438/4885PRKD2 945/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 MAPK9 39/4885CSNK1D 499/4885PRKD2 901/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 MAPK9 35/4885CSNK1D 1278/4885PRKD2 848/4885

“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.