SCHEMBL2745929

SCHEMBL2745929

CC(C)(C)OC(=O)N1CCC(Nc2nccc(-c3c(-c4cccc(C(F)(F)F)c4)nc4occn34)n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 6/20 0.60
PRKD3 O94806 4/20 0.60
MAP4K4 O95819 4/20 0.60
MAPK8 P45983 4/20 0.60
CSNK1A1 P48729 4/20 0.60
GSK3B P49841 4/20 0.60
CSNK1G2 P78368 4/20 0.60
PRKD2 Q9BZL6 4/20 0.60
CSNK1G1 Q9HCP0 4/20 0.60
CSNK1G3 Q9Y6M4 4/20 0.60
MAPK1 P28482 4/20 0.60
GSK3A P49840 3/20 0.60
TAOK1 Q7L7X3 3/20 0.60
MINK1 Q8N4C8 3/20 0.60
CSNK1D P48730 3/20 0.60
CDK2 P24941 2/20 0.60
CLK4 Q9HAZ1 2/20 0.60
CLK2 P49760 1/20 0.49
AURKB Q96GD4 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49

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
SCHEMBL12023623 0.91 MAPK9 (0.74) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL3477998 0.90 MAPK9 (0.63) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL3808577 0.87 PRKD3 (0.80) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL3808895 0.85 MAPK9 (0.56) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL2745509 0.83 MAPK9 (0.58) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL2745591 0.83 MAP4K4 (0.64) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL3817354 0.83 MAPK9 (0.71) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL2745813 0.83 MAPK9 (0.57) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
Hydrochloric Acid SCHEMBL2746032 0.82 MAPK9 (0.70) MAPK9PRKD3MAP4K4MAPK8CSNK1A1
SCHEMBL2746232 0.82 PRKD3 (0.62) MAPK9PRKD3MAP4K4MAPK8CSNK1A1

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 14 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
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 31/4885PRKD3 541/4885MAP4K4 44/4885
US-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 MAPK9 39/4885PRKD3 607/4885MAP4K4 38/4885
US-20110301160-A1 Inhibitors of P38 and Methods of Using the Same MAPK1, MAPK7, MAPK8 MAPK9 35/4885PRKD3 507/4885MAP4K4 43/4885

“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.