SCHEMBL10104593

SCHEMBL10104593

CC(C)(C)OC(=O)n1cc(I)c2cc(-c3cnn(CCOC4CCCCO4)c3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.42
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IKBKE Q14164 6/20 0.33
TBK1 Q9UHD2 6/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALK Q9UM73 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
KRAS P01116 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
KAT5 Q92993 1/20 0.32
ROCK2 O75116 1/20 0.31

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
SCHEMBL12291835 0.81 CYP11B2 (0.38) IKBKETBK1ALKGPR119WNT1
SCHEMBL10104592 0.81 MET (0.43) METALKGSK3BROCK2
SCHEMBL10104598 0.79 MET (0.46) METKDM4CL3MBTL1ALK
SCHEMBL15227470 0.79 BRD4 (0.48) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL719094 0.79 GSK3B (0.43) GPR119WNT1GSK3BDYRK1A
SCHEMBL13977515 0.74 CYP11B2 (0.40) METGPR119
SCHEMBL14059750 0.74 IKBKE (0.48) METIKBKETBK1
SCHEMBL13977686 0.73 MET (0.50) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL2697838 0.73 MET (0.50) METKDM4CL3MBTL1NPC1RAB9A
SCHEMBL12291796 0.72 MKNK1 (0.37) METROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427461-B1 3-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
WO-2010127754-A1 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES MERCK PATENT GMBH (DE) 2010-11-11 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-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives PDK1, PDK2, PDK3 MET 1922/4885KDM4C 1532/4885L3MBTL1 1280/4885

“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.