SCHEMBL10104592

SCHEMBL10104592

CC(C)(C)OC(=O)n1cc(-c2cn(Cc3ccccc3)nn2)c2cc(-c3cnn(CCOC4CCCCO4)c3)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.43
ALK Q9UM73 2/20 0.37
KDR P35968 3/20 0.36
TEK Q02763 2/20 0.36
EPHB4 P54760 2/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
MAPK1 P28482 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK1G2 P78368 1/20 0.36
PRKG1 Q13976 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SGK2 Q9HBY8 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
CSNK1G3 Q9Y6M4 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
JAK1 P23458 1/20 0.35
CDC7 O00311 3/20 0.34

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
SCHEMBL719766 0.85 KDR (0.49) ALKKDRTEKEPHB4DYRK3
SCHEMBL10104593 0.81 MET (0.42) METALKROCK2GSK3B
SCHEMBL299949 0.74 KDR (0.47) ALKKDRTEKEPHB4DYRK3
SCHEMBL10463930 0.72 KDM4A (0.42) KDRTEKEPHB4EGLN1JAK1
SCHEMBL718773 0.72 CCNK (0.44) GSK3BEGLN1JAK1CDC7SCD
SCHEMBL16867136 0.70 DYRK1B (0.49) ALKJAK1SCDSCD5
SCHEMBL721655 0.69 EGLN1 (0.41) METMAPK1GSK3BEGLN1RET
SCHEMBL15227470 0.69 BRD4 (0.48) METALK
SCHEMBL14059750 0.68 IKBKE (0.48) METMERTK
SCHEMBL13977515 0.68 CYP11B2 (0.40) METRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1922/4885ALK 2215/4885KDR 893/4885

“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.