SCHEMBL4293975

SCHEMBL4293975

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 3/20 0.41
MAP4K4 O95819 2/20 0.41
CSNK1D P48730 2/20 0.41
MINK1 Q8N4C8 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
EGFR P00533 2/20 0.41
PRKD3 O94806 1/20 0.39
MAPK14 Q16539 1/20 0.34
UBE2M P61081 6/20 0.33
DCUN1D1 Q96GG9 6/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
NR1I2 O75469 1/20 0.31
MET P08581 1/20 0.31
PDE1A P54750 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL4307622 0.91 MAP4K4 (0.40) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL8989840 0.89 TRPV3 (0.41) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4301613 0.88 MAPK14 (0.41) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4298655 0.82 MAP4K4 (0.48) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4299246 0.81 MAP4K4 (0.53) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4299247 0.81 MAP4K4 (0.53) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4304649 0.81 MAP4K4 (0.53) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4298116 0.79 MAP4K4 (0.46) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4303985 0.79 EGFR (0.51) MAPK9MAP4K4CSNK1DMINK1PRKD2
SCHEMBL4296181 0.79 MAP4K4 (0.53) MAPK9MAP4K4CSNK1DMINK1PRKD2

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 MAPK9 101/4885MAP4K4 24/4885CSNK1D 173/4885

“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.