SCHEMBL4298715

SCHEMBL4298715

CC(C)c1nnc2ccc(CC#N)nn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K4 O95819 2/20 0.32
MAPK9 P45984 2/20 0.32
CSNK1D P48730 2/20 0.32
MINK1 Q8N4C8 2/20 0.32
PRKD2 Q9BZL6 2/20 0.32
PRKD3 O94806 1/20 0.32
EGFR P00533 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PDE1A P54750 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL12891156 0.72 MET (0.36) METKDM4EMEN1KMT2AMAP4K4
SCHEMBL4817342 0.70 MAP4K4 (0.38) METKDM4EMEN1KMT2AMAP4K4
SCHEMBL937870 0.70 KDM4E (0.58) METKDM4EMEN1KMT2AMAP4K4
SCHEMBL3237339 0.67 KDM4E (0.34) METKDM4EMEN1KMT2AMAP4K4
SCHEMBL3245463 0.67 MAP4K4 (0.34) METKDM4EMEN1KMT2AMAP4K4
SCHEMBL22109206 0.67 PDE10A (0.33) METKDM4EMEN1KMT2APDE10A
SCHEMBL4302434 0.66 SMN1; SMN2 (0.48) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3239782 0.65 MAPK14 (0.53) KDM4EMAP4K4MAPK9CSNK1DMINK1
SCHEMBL23794523 0.65 DYRK1A (0.35) MEN1KMT2AEGFR
SCHEMBL4301301 0.65 MAP4K4 (0.33) METKDM4EMEN1KMT2AMAP4K4

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 7 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
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 MET 3567/4885KDM4E 3083/4885MEN1 3358/4885

“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.