SCHEMBL4304056

SCHEMBL4304056

CC(C)(C)c1nnc2ccc(C#Cc3ccc(F)cc3F)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
MAPK13 O15264 1/20 0.42
PRKD3 O94806 4/20 0.37
MAP4K4 O95819 4/20 0.37
CSNK1D P48730 4/20 0.37
EGFR P00533 3/20 0.37
PRKD2 Q9BZL6 3/20 0.37
ALDH1A1 P00352 2/20 0.36
MINK1 Q8N4C8 1/20 0.36
KDR P35968 1/20 0.35
MAPK9 P45984 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3A P49840 1/20 0.35
SLK Q9H2G2 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MET P08581 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL9057179 0.74 MAP4K4 (0.53) MAPK14MAPK13PRKD3MAP4K4CSNK1D
SCHEMBL4299805 0.68 MAPK14 (0.39) MAPK14MAPK13PRKD3MAP4K4CSNK1D
SCHEMBL13959638 0.67 MAPK14 (0.42) MAPK14MAPK13PRKD3MAP4K4CSNK1D
SCHEMBL3245685 0.66 ALDH1A1 (0.46) ALDH1A1TRPV3
SCHEMBL4294016 0.66 MAP4K4 (0.50) MAPK14MAPK13PRKD3MAP4K4CSNK1D
SCHEMBL4297287 0.66 MAPK14 (0.39) MAPK14MAPK13PRKD3MAP4K4CSNK1D
SCHEMBL12912264 0.64 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6631672 0.63 ALDH1A1 (0.69) ALDH1A1METKDM4ESMN1; SMN2
SCHEMBL20356809 0.63 ALDH1A1 (0.42) MAPK14ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14770099 0.62 ALDH1A1 (0.35) ALDH1A1TRPV3

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 5 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
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 MAPK14 72/4885MAPK13 77/4885PRKD3 136/4885

“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.