SCHEMBL1047675

SCHEMBL1047675

Cn1ccc2cc(Nc3ccncn3)nc(N)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
LYN P07948 1/20 0.39
SRC P12931 1/20 0.39
BTK Q06187 1/20 0.39
ZAP70 P43403 1/20 0.38
SCN9A Q15858 1/20 0.37
MKNK1 Q9BUB5 13/20 0.36
MKNK2 Q9HBH9 9/20 0.36
EIF4E P06730 1/20 0.36
MAP4K1 Q92918 1/20 0.36
FYN P06241 1/20 0.35
PIK3C3 Q8NEB9 1/20 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
SCHEMBL1043458 0.84 TYK2 (0.42) CDK5LYNSRCBTKZAP70
SCHEMBL1049135 0.83 SYK (0.44) LYNSRCBTKZAP70MKNK1
SCHEMBL1049156 0.81 ZAP70 (0.40) ZAP70MAP4K1
SCHEMBL1048765 0.81 BTK (0.43) LYNSRCBTKZAP70
SCHEMBL1048042 0.80 TYK2 (0.45) ZAP70
SCHEMBL1047994 0.79 KDM4E (0.41) GSK3ACDK9CDK5TAOK1CLK4
SCHEMBL27806186 0.79 GSK3B (0.42) ZAP70MAP4K1
SCHEMBL1043575 0.79 LRRK2 (0.42) BTKZAP70MAP4K1
SCHEMBL1048022 0.79 BTK (0.39) BTKZAP70MAP4K1
SCHEMBL1048898 0.78 SYK (0.39) SRCBTKZAP70SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET GSK3A 469/4885CDK9 596/4885CDK5 636/4885

“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.