SCHEMBL8989840

SCHEMBL8989840

CC(C)c1nnc2ccc(-c3sc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3-c3cc(F)c(F)cc3F)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 3/20 0.41
MAP4K4 O95819 2/20 0.39
MAPK9 P45984 2/20 0.39
CSNK1D P48730 2/20 0.39
MINK1 Q8N4C8 2/20 0.39
PRKD2 Q9BZL6 2/20 0.39
EGFR P00533 1/20 0.39
GPR119 Q8TDV5 7/20 0.37
DPP4 P27487 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
PRKD3 O94806 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4298655 0.93 MAP4K4 (0.48) TRPV3MAP4K4MAPK9CSNK1DMINK1
SCHEMBL4293975 0.89 MAPK9 (0.41) MAP4K4MAPK9CSNK1DMINK1PRKD2
SCHEMBL8989849 0.82 PRKD3 (0.44) MAP4K4MAPK9CSNK1DMINK1PRKD2
SCHEMBL9057500 0.81 SMN1; SMN2 (0.39) MAP4K4MAPK9CSNK1DPRKD2EGFR
SCHEMBL4296181 0.79 MAP4K4 (0.53) MAP4K4MAPK9CSNK1DMINK1PRKD2
SCHEMBL4299246 0.77 MAP4K4 (0.53) MAP4K4MAPK9CSNK1DMINK1PRKD2
SCHEMBL4299247 0.77 MAP4K4 (0.53) MAP4K4MAPK9CSNK1DMINK1PRKD2
SCHEMBL4304649 0.77 MAP4K4 (0.53) MAP4K4MAPK9CSNK1DMINK1PRKD2
SCHEMBL8989836 0.77 MAP4K4 (0.48) TRPV3MAP4K4MAPK9CSNK1DMINK1
SCHEMBL4296533 0.75 MAP4K4 (0.54) MAP4K4MAPK9CSNK1DMINK1PRKD2

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 5 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-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 TRPV3 2127/4885MAP4K4 24/4885MAPK9 101/4885

“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.