SCHEMBL4302860

SCHEMBL4302860

CC(C)c1nnc2ccc(C(Br)C(=O)c3cc(F)c(F)cc3F)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.41
MET P08581 8/20 0.37
MAP4K4 O95819 2/20 0.35
MAPK9 P45984 2/20 0.35
CSNK1D P48730 2/20 0.35
MINK1 Q8N4C8 2/20 0.35
PRKD2 Q9BZL6 2/20 0.35
PRKD3 O94806 1/20 0.35
EGFR P00533 1/20 0.34
PDE1A P54750 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4300045 0.89 MAPK14 (0.52) MAPK14METMAP4K4MAPK9CSNK1D
SCHEMBL13959512 0.86 MAPK14 (0.41) MAPK14METMAP4K4MAPK9CSNK1D
SCHEMBL8990691 0.76 MAPK14 (0.52) MAPK14METMAP4K4MAPK9CSNK1D
Hydrochloric Acid SCHEMBL3240832 0.75 MAPK14 (0.51) MAPK14METMAP4K4MAPK9CSNK1D
SCHEMBL4297287 0.73 MAPK14 (0.39) MAPK14METMAP4K4MAPK9CSNK1D
SCHEMBL12891156 0.71 MET (0.36) MAPK14METMAP4K4MAPK9CSNK1D
SCHEMBL3229815 0.69 MAPK14 (0.55) MAPK14METMAP4K4MAPK9CSNK1D
SCHEMBL3239782 0.67 MAPK14 (0.53) MAPK14MAP4K4MAPK9CSNK1DMINK1
SCHEMBL2604361 0.67 MAP4K4 (0.36) MAPK14METMAP4K4MAPK9CSNK1D
SCHEMBL9056859 0.67 MAPK14 (0.52) MAPK14METMAP4K4MAPK9CSNK1D

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 72/4885MET 3567/4885MAP4K4 24/4885

“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.