SCHEMBL2286707

SCHEMBL2286707

CS(=O)(=O)c1ccc(-c2c(-c3ccncc3)[nH]c3ccc(C#N)nc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.70
DYRK1A Q13627 3/20 0.47
RAF1 P04049 2/20 0.47
MAPK14 Q16539 3/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX5 P09917 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
CSNK1E P49674 1/20 0.47
MAPK11 Q15759 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSNK1A1L Q8N752 1/20 0.47
PTGS2 P35354 3/20 0.44
TEK Q02763 1/20 0.44

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
SCHEMBL2292092 0.87 MET (0.90) METDYRK1ARAF1MAPK14
SCHEMBL2357439 0.83 MET (0.80) METDYRK1ARAF1MAPK14ALOX5
SCHEMBL2290067 0.82 MET (1.00) METDYRK1ARAF1MAPK14MAPK11
SCHEMBL2188232 0.82 MET (1.00) METDYRK1ARAF1MAPK14ALOX5
SCHEMBL2292262 0.82 MET (0.78) METDYRK1ARAF1MAPK14MAPK11
SCHEMBL2286561 0.82 MET (1.00) METDYRK1ARAF1MAPK14ALOX5
SCHEMBL12414715 0.82 MET (1.00) METDYRK1ARAF1MAPK14MAPK11
SCHEMBL2290683 0.78 MET (1.00) METDYRK1ARAF1MAPK14MAPK11
SCHEMBL2289810 0.77 MET (1.00) METDYRK1ARAF1MAPK14MAPK11
SCHEMBL2288836 0.77 MET (0.82) METDYRK1ARAF1MAPK14MAPK11

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
EP-2342202-B1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2015-11-11 EP claimed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US claimed
EP-2342202-B1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
EP-2342202-B1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2015-11-11 EP disclosed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
US-20110207732-A1 AZAINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-25 US disclosed
WO-2010046013-A1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2010-04-29 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-20110207732-A1 AZAINDOLE DERIVATIVES AZI2, ABL1, RET MET 8/4885DYRK1A 153/4885RAF1 281/4885

“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.