SCHEMBL8990732

SCHEMBL8990732

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.50
MAP4K4 O95819 2/20 0.40
MAPK9 P45984 2/20 0.40
CSNK1D P48730 2/20 0.40
MINK1 Q8N4C8 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
PRKD3 O94806 1/20 0.40
EGFR P00533 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MET P08581 6/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
HPGD P15428 1/20 0.33

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
SCHEMBL8990920 1.00 MAPK14 (0.50) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL3229815 0.88 MAPK14 (0.55) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL9056859 0.85 MAPK14 (0.52) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL3239782 0.75 MAPK14 (0.53) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL8990691 0.74 MAPK14 (0.52) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL4300045 0.74 MAPK14 (0.52) MAPK14MAP4K4MAPK9CSNK1DMINK1
Hydrochloric Acid SCHEMBL3240832 0.74 MAPK14 (0.51) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL13959496 0.73 MAPK14 (0.43) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL4300407 0.73 MAPK14 (0.46) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL4300409 0.73 MAPK14 (0.46) 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 4 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

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.