SCHEMBL12377508

SCHEMBL12377508

[C-]#[N+]c1ccc2[nH]c(-c3ccc(F)cc3)c(-c3ccncc3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.63
MAPK14 Q16539 10/20 0.63
MAPK13 O15264 5/20 0.50
MAPK12 P53778 5/20 0.50
MAPK11 Q15759 5/20 0.50
RAF1 P04049 3/20 0.50
DYRK1A Q13627 3/20 0.50
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
MAPK9 P45984 1/20 0.46
GCGR P47871 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
GSK3B P49841 1/20 0.46
PTK6 Q13882 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL12377502 0.92 DYRK1A (0.54) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377478 0.89 MAPK14 (0.51) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377497 0.88 DYRK1A (0.49) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377494 0.87 RAF1 (0.63) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377493 0.87 MET (0.65) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377510 0.86 MET (0.58) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377484 0.86 MET (0.64) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377519 0.86 MAPK14 (0.52) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377492 0.85 MET (0.47) METMAPK14MAPK13MAPK12MAPK11
SCHEMBL12377498 0.84 MET (0.57) 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.