SCHEMBL4297900

SCHEMBL4297900

C[S+]([O-])c1nccc(-c2c(-c3ccc(F)cc3F)nc3occn23)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 16/20 0.54
CSNK1D P48730 16/20 0.54
PRKD3 O94806 15/20 0.54
MAPK9 P45984 15/20 0.54
PRKD2 Q9BZL6 13/20 0.54
MINK1 Q8N4C8 13/20 0.54
GSK3B P49841 10/20 0.52
TAOK1 Q7L7X3 9/20 0.52
EGFR P00533 3/20 0.52
DYRK1A Q13627 2/20 0.52
ERBB2 P04626 1/20 0.52
MARK3 P27448 1/20 0.52
CSNK1A1 P48729 12/20 0.49
CSNK1G2 P78368 8/20 0.49
MAP4K5 Q9Y4K4 5/20 0.49
GSK3A P49840 4/20 0.49
FGFR1 P11362 3/20 0.49
AURKB Q96GD4 2/20 0.49
MAPK8 P45983 10/20 0.43
CSNK1G3 Q9Y6M4 8/20 0.43

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
SCHEMBL4301468 0.86 MAP4K4 (0.55) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL4300868 0.82 MAP4K4 (0.55) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL4293981 0.74 MAP4K4 (0.61) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL13144044 0.73 MAP4K4 (0.59) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL3818285 0.73 MAP4K4 (0.77) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL12154511 0.73 MAP4K4 (0.57) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL2744980 0.73 MAP4K4 (0.57) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL2744982 0.73 MAP4K4 (0.57) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL2746641 0.73 CSNK1D (0.79) MAP4K4CSNK1DPRKD3MAPK9PRKD2
SCHEMBL4307563 0.73 MAP4K4 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188083-B2 Triazolopyridazines ABBOTT LABORATORIES (US) 2012-05-29 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.