SCHEMBL2744982

SCHEMBL2744982

CN1C2CCC1CC(Nc1nccc(-c3c(-c4ccc(F)cc4F)nc4occn34)n1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 17/20 0.57
PRKD3 O94806 16/20 0.57
MAPK9 P45984 16/20 0.57
MINK1 Q8N4C8 14/20 0.57
PRKD2 Q9BZL6 13/20 0.57
CSNK1A1 P48729 13/20 0.57
GSK3B P49841 12/20 0.57
MAPK8 P45983 11/20 0.57
CSNK1G2 P78368 9/20 0.57
CSNK1G3 Q9Y6M4 9/20 0.57
TAOK1 Q7L7X3 9/20 0.57
CSNK1G1 Q9HCP0 5/20 0.57
GSK3A P49840 4/20 0.57
MAPK1 P28482 4/20 0.57
AURKB Q96GD4 2/20 0.57
CLK2 P49760 1/20 0.57
HIPK2 Q9H2X6 1/20 0.57
PIM2 Q9P1W9 1/20 0.57
ALK Q9UM73 1/20 0.57
CSNK1D P48730 17/20 0.55

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
SCHEMBL2744980 1.00 MAP4K4 (0.57) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL12154511 1.00 MAP4K4 (0.57) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL12154523 0.92 PRKD3 (0.55) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL2746062 0.92 PRKD3 (0.55) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL2746065 0.92 PRKD3 (0.55) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL12023567 0.88 PRKD3 (0.73) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL3818285 0.85 MAP4K4 (0.77) MAP4K4PRKD3MAPK9MINK1PRKD2
Hydrochloric Acid SCHEMBL2745296 0.85 MAP4K4 (0.76) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL2745547 0.84 MAPK8 (0.51) MAP4K4PRKD3MAPK9MINK1PRKD2
SCHEMBL2745543 0.84 MAPK8 (0.51) MAP4K4PRKD3MAPK9MINK1PRKD2

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 10 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
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
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 (1 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-20090111985-A1 Synthesis of imidazooxazole and imidazothiazole inhibitors of p38 map kinase MAPK1, MAPK14, MAPK15 MAP4K4 38/4885PRKD3 607/4885MAPK9 39/4885

“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.