SCHEMBL4300407

SCHEMBL4300407

CC(C)c1nnc2ccc(C/C(=N/NC(=O)O)c3ccc(F)cc3F)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.46
MAP4K4 O95819 2/20 0.37
MAPK9 P45984 2/20 0.37
CSNK1D P48730 2/20 0.37
MINK1 Q8N4C8 2/20 0.37
PRKD2 Q9BZL6 2/20 0.37
PRKD3 O94806 1/20 0.37
EGFR P00533 1/20 0.37
TRPC5 Q9UL62 1/20 0.35
MET P08581 3/20 0.35
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 3/20 0.34
RXFP1 Q9HBX9 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PRNP P04156 1/20 0.32
CYP1A2 P05177 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
SCHEMBL4300409 1.00 MAPK14 (0.46) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL8990672 0.90 MAPK14 (0.42) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL8990817 0.90 MAPK14 (0.42) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL3239782 0.83 MAPK14 (0.53) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL9056860 0.79 MAPK14 (0.47) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL4296550 0.79 MAP4K4 (0.44) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL3229815 0.75 MAPK14 (0.55) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL8990920 0.73 MAPK14 (0.50) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL8990732 0.73 MAPK14 (0.50) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL8990691 0.72 MAPK14 (0.52) MAPK14MAP4K4MAPK9CSNK1DMINK1

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 MAPK14 72/4885MAP4K4 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.