SCHEMBL2289786

SCHEMBL2289786

N#Cc1ccc2[nH]c(-c3ccc(N)nc3)c(-c3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.77
NPBWR1 P48145 1/20 0.38
IDO1 P14902 1/20 0.35
CHEK1 O14757 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PIK3CA P42336 1/20 0.34
PIK3CD O00329 1/20 0.34
PARP1 P09874 1/20 0.34
DHODH Q02127 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL2285540 0.91 MET (0.75) METIDO1CHEK1PIK3CAGRIN1
SCHEMBL2285375 0.87 MET (1.00) METIDO1TLR9TLR8TLR7
SCHEMBL2286491 0.85 MET (0.70) METCHEK1TLR9TLR8TLR7
SCHEMBL2185742 0.85 MET (0.79) METIDO1CHEK1
SCHEMBL2286378 0.83 MET (1.00) MET
SCHEMBL2356914 0.83 MET (0.67) METCHEK1PIK3CA
SCHEMBL2288589 0.74 MET (1.00) MET
SCHEMBL2289810 0.73 MET (1.00) MET
SCHEMBL2288836 0.73 MET (0.82) MET
SCHEMBL2186157 0.71 MET (0.72) MET

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 4 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
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 8/4885NPBWR1 3130/4885IDO1 417/4885

“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.