SCHEMBL4296533

SCHEMBL4296533

CC(C)c1nnc2ccc(-c3sc(C4CCC(=O)CC4)nc3-c3ccc(F)cc3F)nn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.54
CSNK1D P48730 7/20 0.54
PRKD2 Q9BZL6 6/20 0.54
EGFR P00533 6/20 0.54
MAPK9 P45984 5/20 0.54
MINK1 Q8N4C8 4/20 0.54
PRKD3 O94806 6/20 0.51
MAPK14 Q16539 9/20 0.37
KDR P35968 2/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
SLK Q9H2G2 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ERBB2 P04626 2/20 0.34
MARK3 P27448 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
TAOK1 Q7L7X3 1/20 0.34
RAF1 P04049 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL4299247 0.89 MAP4K4 (0.53) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4299246 0.89 MAP4K4 (0.53) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4304649 0.89 MAP4K4 (0.53) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4296453 0.89 MAP4K4 (0.53) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4303985 0.87 EGFR (0.51) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4296181 0.87 MAP4K4 (0.53) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4298655 0.83 MAP4K4 (0.48) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4293975 0.79 MAPK9 (0.41) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL4297313 0.78 MAP4K4 (0.60) MAP4K4CSNK1DPRKD2EGFRMAPK9
SCHEMBL3268009 0.78 MAPK14 (0.42) MAP4K4CSNK1DPRKD2EGFRMAPK9

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-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
WO-2009005675-A1 NOVEL TRIAZOLOPYRIDAZINES ABBOTT LABORATORIES (US) 2009-01-08 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-20090270402-A1 Novel triazolopyridazines MAP3K5, MAP3K1, MAP3K2 MAP4K4 24/4885CSNK1D 173/4885PRKD2 76/4885

“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.