SCHEMBL4459004

SCHEMBL4459004

Cn1cc(-c2cn(S)c3ncc(C4=CCC(C)(N5CCOCC5)CC4)cc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
MAPK10 P53779 3/20 0.35
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
LRRK2 Q5S007 5/20 0.34
IRAK4 Q9NWZ3 3/20 0.32
IRAK1 P51617 2/20 0.32
PDK2 Q15119 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
ALK Q9UM73 1/20 0.31
MET P08581 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL10227696 0.85 LRRK2 (0.33) LRRK2MKNK1ALK
SCHEMBL4465546 0.82 SUV39H2 (0.35) LRRK2MKNK1
SCHEMBL2753382 0.82 PDPK1 (0.41) PIK3CDMAPK10MAPK8MAPK9LRRK2
SCHEMBL4454156 0.78 MAPK10 (0.50) PIK3CDMAPK10MAPK8MAPK9LRRK2
SCHEMBL4454293 0.78 MAPK8 (0.43) PIK3CDMAPK10MAPK8MAPK9LRRK2
SCHEMBL4471983 0.75 PSMB5 (0.39) LRRK2ALK
SCHEMBL4457136 0.75 MAPK8 (0.46) PIK3CDMAPK10MAPK8MAPK9LRRK2
SCHEMBL4472998 0.74 PSMB5 (0.44) LRRK2ALK
SCHEMBL4458424 0.74 PSMB5 (0.43) LRRK2ALK
SCHEMBL4461941 0.73 PIK3CD (0.33) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 PIK3CD 1260/4885MAPK10 11/4885MAPK8 26/4885

“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.