SCHEMBL3087462

SCHEMBL3087462

CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)cn12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 5/20 0.71
MAP4K4 O95819 5/20 0.71
CSNK1D P48730 5/20 0.71
MINK1 Q8N4C8 4/20 0.71
PRKD2 Q9BZL6 4/20 0.71
MAPK9 P45984 3/20 0.71
MAPK14 Q16539 15/20 0.64
GSK3B P49841 2/20 0.60
FGFR1 P11362 1/20 0.60
CSNK1A1 P48729 1/20 0.60
GSK3A P49840 1/20 0.60
CSNK1G2 P78368 1/20 0.60
AURKB Q96GD4 1/20 0.60
MAP4K5 Q9Y4K4 1/20 0.60
EGFR P00533 2/20 0.54
ERBB2 P04626 1/20 0.52
MARK3 P27448 1/20 0.52
DYRK1A Q13627 1/20 0.52
TAOK1 Q7L7X3 1/20 0.52

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
SCHEMBL4298093 0.86 MAP4K4 (0.62) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4293949 0.85 MAP4K4 (0.71) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4300444 0.83 MAP4K4 (1.00) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL13144064 0.83 MAPK14 (0.66) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL3085862 0.81 PRKD3 (0.55) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL13144065 0.81 MAPK14 (0.66) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL3088356 0.80 PRKD3 (0.62) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL17767557 0.79 TGFBR1 (0.56) PRKD3MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4764009 0.78 MAPK14 (1.00) MAPK14
SCHEMBL4303052 0.78 MAP4K4 (0.69) PRKD3MAP4K4CSNK1DMINK1PRKD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 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-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 PRKD3 376/4885MAP4K4 26/4885CSNK1D 157/4885

“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.