SCHEMBL2187589

SCHEMBL2187589

N#Cc1ccc2[nH]c(-c3cncnc3)c(-c3cccc(Cl)c3)c2n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.78
RAF1 P04049 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
PADI4 Q9UM07 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PTGS2 P35354 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PARP1 P09874 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL2285936 0.88 MET (1.00) METRAF1MAPK13MAPK12MAPK11
SCHEMBL2185742 0.85 MET (0.79) METRAF1MAPK14
SCHEMBL2186136 0.79 MET (1.00) METRAF1MAPK13MAPK12MAPK11
SCHEMBL2290683 0.78 MET (1.00) METRAF1MAPK13MAPK12MAPK11
SCHEMBL2289909 0.77 MET (0.91) METMAPK13MAPK12MAPK11MAPK14
SCHEMBL12377532 0.74 MET (0.76) METRAF1MAPK13MAPK12MAPK11
SCHEMBL2285501 0.73 MET (1.00) METRAF1MAPK13MAPK12MAPK11
SCHEMBL2290067 0.73 MET (1.00) METRAF1MAPK13MAPK12MAPK11
SCHEMBL2288836 0.73 MET (0.82) METRAF1MAPK13MAPK12MAPK11
SCHEMBL12414715 0.72 MET (1.00) METRAF1MAPK13MAPK12MAPK11

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 3 patents. 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 claimed
EP-2342202-A1 AZAINDOLE DERIVATIVE Merck Patent GmbH (DE) 2011-07-13 EP claimed
WO-2010046013-A1 AZAINDOLE DERIVATIVE MERCK PATENT GMBH (DE) 2010-04-29 WO claimed

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 8/4885RAF1 281/4885MAPK13 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.