SCHEMBL3237339

SCHEMBL3237339

C=Cc1ccc2nnc(C(C)C)n2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAP4K4 O95819 2/20 0.34
MAPK9 P45984 2/20 0.34
CSNK1D P48730 2/20 0.34
MINK1 Q8N4C8 2/20 0.34
PRKD2 Q9BZL6 2/20 0.34
PRKD3 O94806 1/20 0.34
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MET P08581 3/20 0.31
MAPK14 Q16539 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3245463 0.83 MAP4K4 (0.34) KDM4EALDH1A1MAP4K4MAPK9CSNK1D
SCHEMBL8990186 0.81 MAP4K4 (0.33) KDM4EMAP4K4MAPK9CSNK1DMINK1
SCHEMBL4301304 0.81 MAP4K4 (0.33) KDM4EMAP4K4MAPK9CSNK1DMINK1
SCHEMBL4301301 0.81 MAP4K4 (0.33) KDM4EMAP4K4MAPK9CSNK1DMINK1
SCHEMBL12891156 0.75 MET (0.36) KDM4EALDH1A1MAP4K4MAPK9CSNK1D
SCHEMBL9924339 0.75 BRD4 (0.42) KDM4EALDH1A1MEN1KMT2AMET
SCHEMBL4300579 0.74 MAP4K4 (0.36) KDM4EALDH1A1MAP4K4MAPK9CSNK1D
SCHEMBL937870 0.74 KDM4E (0.58) KDM4EALDH1A1MAP4K4MAPK9CSNK1D
SCHEMBL4817342 0.74 MAP4K4 (0.38) KDM4EALDH1A1MAP4K4MAPK9CSNK1D
SCHEMBL13248525 0.71 MAP4K4 (0.34) KDM4EALDH1A1MAP4K4MAPK9CSNK1D

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 9 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
EP-2170337-A1 NOVEL TRIAZOLOPYRIDAZINES Abbott Laboratories (US) 2010-04-07 EP 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
WO-2009005675-A1 NOVEL TRIAZOLOPYRIDAZINES ABBOTT LABORATORIES (US) 2009-01-08 WO disclosed
WO-2009005675-A1 NOVEL TRIAZOLOPYRIDAZINES ABBOTT LABORATORIES (US) 2009-01-08 WO 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 KDM4E 3083/4885ALDH1A1 435/4885MAP4K4 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.