SCHEMBL4297287

SCHEMBL4297287

CC(C)(C)c1nnc2ccc(C(Br)C(=O)c3ccc(F)cc3F)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.39
MAPK13 O15264 1/20 0.38
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
PRKD3 O94806 4/20 0.36
MAP4K4 O95819 4/20 0.36
CSNK1D P48730 4/20 0.36
EGFR P00533 3/20 0.35
PRKD2 Q9BZL6 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
MET P08581 7/20 0.35
MINK1 Q8N4C8 1/20 0.35
KDR P35968 1/20 0.34
MAPK9 P45984 1/20 0.34
CLK2 P49760 1/20 0.34
GSK3A P49840 1/20 0.34
SLK Q9H2G2 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL13959638 0.88 MAPK14 (0.42) MAPK14MAPK13CES2CES1PRKD3
SCHEMBL4300045 0.84 MAPK14 (0.52) MAPK14CES2CES1PRKD3MAP4K4
SCHEMBL4299805 0.76 MAPK14 (0.39) MAPK14MAPK13CES2CES1PRKD3
SCHEMBL4302860 0.73 MAPK14 (0.41) MAPK14PRKD3MAP4K4CSNK1DEGFR
SCHEMBL8990691 0.71 MAPK14 (0.52) MAPK14CES2CES1PRKD3MAP4K4
Hydrochloric Acid SCHEMBL3240832 0.70 MAPK14 (0.51) MAPK14CES2CES1PRKD3MAP4K4
SCHEMBL9057179 0.69 MAP4K4 (0.53) MAPK14MAPK13PRKD3MAP4K4CSNK1D
SCHEMBL12891157 0.68 ALDH1A1 (0.40) MAPK14KDM4EALDH1A1HPGD
SCHEMBL4211846 0.68 MAPK14 (0.68) MAPK14MAPK13
SCHEMBL4236899 0.67 MAPK11 (0.44) MAPK14MAPK13CES2CES1KDM4E

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 6 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-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
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 72/4885MAPK13 77/4885CES2 2517/4885

“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.