SCHEMBL1865253

SCHEMBL1865253

C#Cc1ccc2nc(Nc3cc(-c4cn[nH]c4)cc(N4CCOCC4)c3)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.52
JUN P05412 1/20 0.52
MAPK8 P45983 1/20 0.52
MAP3K5 Q99683 2/20 0.44
SYK P43405 6/20 0.43
MYLK4 Q86YV6 2/20 0.42
STK17A Q9UEE5 2/20 0.42
MAP4K1 Q92918 1/20 0.41
JAK2 O60674 1/20 0.39
MAPKAPK5 Q8IW41 2/20 0.39
EPHB4 P54760 2/20 0.39
MET P08581 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
RIPK2 O43353 1/20 0.38

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
SCHEMBL1863747 0.87 SYK (0.49) MAPK10SYKMYLK4STK17AJAK2
SCHEMBL13336017 0.86 SYK (0.45) MAPK10JUNMAPK8MAP3K5SYK
SCHEMBL3503552 0.85 MAPK10 (0.51) MAPK10MAPK8SYKMYLK4STK17A
SCHEMBL3503540 0.82 MAPK10 (0.54) MAPK10SYKMYLK4STK17AJAK2
SCHEMBL3503825 0.81 RIPK2 (0.44) MAPK10SYKMYLK4STK17AJAK2
SCHEMBL1870735 0.81 CCNT1 (0.55) MAPK10JAK2RIPK2
SCHEMBL3504879 0.77 MAP3K5 (0.66) MAPK10JUNMAP3K5MAP4K1
SCHEMBL1870096 0.73 MAPK10 (0.58) MAPK10JUNMAPK8MAP4K1JAK2
SCHEMBL3503353 0.72 JAK2 (0.63) MAPK10MAPK8SYKMYLK4STK17A
SCHEMBL13336001 0.72 SYK (0.47) SYKSTK17AJAK2

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
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 WO claimed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US claimed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 CN claimed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 US 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAPK10 338/4885JUN 504/4885MAPK8 275/4885

“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.