SCHEMBL4454156

SCHEMBL4454156

Cn1cc(-c2cn(S)c3ncc([C@H]4CC[C@@](C)(N5CCOCC5)CC4)cc23)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.50
MAPK8 P45983 2/20 0.50
MAPK9 P45984 2/20 0.50
PIK3CD O00329 1/20 0.41
LRRK2 Q5S007 2/20 0.35
IRAK4 Q9NWZ3 4/20 0.34
IRAK1 P51617 3/20 0.34
GSK3B P49841 3/20 0.33
DYRK1A Q13627 3/20 0.33
ALK Q9UM73 1/20 0.33
ZAP70 P43403 1/20 0.33
CREBBP Q92793 2/20 0.32
WNT1 P04628 2/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
JUN P05412 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
SCHEMBL4454296 0.84 MAPK8 (0.67) MAPK10MAPK8MAPK9PIK3CDIRAK4
SCHEMBL4457897 0.84 MAPK8 (0.67) MAPK10MAPK8MAPK9PIK3CDIRAK4
SCHEMBL4459414 0.84 MAPK8 (0.43) MAPK10MAPK8MAPK9IRAK4IRAK1
SCHEMBL4482109 0.82 MAPK8 (0.41) MAPK10MAPK8MAPK9IRAK4IRAK1
SCHEMBL2752531 0.82 MAPK8 (0.73) MAPK10MAPK8MAPK9PIK3CDLRRK2
SCHEMBL4401913 0.82 MAPK8 (0.73) MAPK10MAPK8MAPK9PIK3CDLRRK2
SCHEMBL2752530 0.82 MAPK8 (0.73) MAPK10MAPK8MAPK9PIK3CDLRRK2
SCHEMBL2753731 0.82 MAPK8 (0.44) MAPK10MAPK8MAPK9PIK3CDLRRK2
SCHEMBL4402098 0.82 MAPK8 (0.44) MAPK10MAPK8MAPK9PIK3CDLRRK2
SCHEMBL2753727 0.82 MAPK8 (0.44) MAPK10MAPK8MAPK9PIK3CDLRRK2

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 MAPK10 11/4885MAPK8 26/4885MAPK9 20/4885

“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.