SCHEMBL4298583

SCHEMBL4298583

NNc1ncc(-c2c(-c3ccc(F)cc3F)nc3occn23)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 14/20 0.54
CSNK1D P48730 14/20 0.54
PRKD3 O94806 13/20 0.54
MAPK9 P45984 13/20 0.54
PRKD2 Q9BZL6 12/20 0.54
MINK1 Q8N4C8 11/20 0.54
CSNK1A1 P48729 10/20 0.54
GSK3B P49841 9/20 0.54
CSNK1G2 P78368 6/20 0.54
GSK3A P49840 4/20 0.54
MAP4K5 Q9Y4K4 3/20 0.54
AURKB Q96GD4 2/20 0.54
FGFR1 P11362 1/20 0.54
TAOK1 Q7L7X3 7/20 0.47
EGFR P00533 3/20 0.47
DYRK1A Q13627 2/20 0.47
ERBB2 P04626 1/20 0.47
MARK3 P27448 1/20 0.47
MAPK8 P45983 8/20 0.39
CSNK1G3 Q9Y6M4 6/20 0.39

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
SCHEMBL3079084 0.87 PRKD3 (0.55) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL13144044 0.83 MAP4K4 (0.59) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL4307563 0.83 MAP4K4 (0.56) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL4301468 0.81 MAP4K4 (0.55) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL3095969 0.79 PRKD3 (0.47) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL4302719 0.79 MAP4K4 (0.58) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL17767427 0.78 PRKD3 (0.64) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL3092921 0.77 PRKD3 (0.44) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL3086376 0.77 PRKD3 (0.44) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL17767624 0.77 PRKD3 (0.60) MAP4K4CSNK1DPRKD3MAPK9PRKD2

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 6 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

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 173/4885PRKD3 136/4885

“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.