SCHEMBL12377522

SCHEMBL12377522

[C-]#[N+]c1ccc2[nH]c(-c3ccc(N)nc3)c(-c3ccc(F)cc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.44
MAPK14 Q16539 13/20 0.44
MAPK13 O15264 4/20 0.37
MAPK12 P53778 4/20 0.37
MAPK11 Q15759 4/20 0.37
TDO2 P48775 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
RAF1 P04049 1/20 0.35
DYRK1A Q13627 1/20 0.35
PRKD1 Q15139 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
SCHEMBL12377484 0.82 MET (0.64) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377478 0.82 MAPK14 (0.51) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377519 0.82 MAPK14 (0.52) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377508 0.81 MET (0.63) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377510 0.80 MET (0.58) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL2286491 0.80 MET (0.70) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377524 0.78 MAPK14 (0.48) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377504 0.78 MAPK14 (0.47) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377528 0.77 MAPT (0.50) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377485 0.75 MGAM (0.40) METMAPK14MAPK13MAPK12MAPK11

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET MET 8/4885MAPK14 818/4885MAPK13 614/4885

“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.