SCHEMBL4401913

SCHEMBL4401913

Cn1cc(-c2c[nH]c3ncc([C@H]4CC[C@@](C)(N5CCOCC5)CC4)cc23)cn1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.73
MAPK9 P45984 2/20 0.73
MAPK10 P53779 2/20 0.73
LRRK2 Q5S007 2/20 0.46
ALK Q9UM73 11/20 0.42
IL2 P60568 1/20 0.41
MAP4K1 Q92918 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 3/20 0.40

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
SCHEMBL2752530 1.00 MAPK8 (0.73) MAPK8MAPK9MAPK10LRRK2ALK
SCHEMBL2752531 1.00 MAPK8 (0.73) MAPK8MAPK9MAPK10LRRK2ALK
SCHEMBL2753501 0.86 MAPK8 (0.66) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL2752407 0.85 MAPK8 (1.00) MAPK8MAPK9MAPK10LRRK2ALK
SCHEMBL2752410 0.85 MAPK8 (1.00) MAPK8MAPK9MAPK10LRRK2ALK
SCHEMBL4402160 0.85 MAPK8 (1.00) MAPK8MAPK9MAPK10LRRK2ALK
SCHEMBL2753491 0.84 MAPK8 (0.67) MAPK8MAPK9MAPK10LRRK2ALK
Hydrochloric Acid SCHEMBL2753094 0.84 MAPK8 (0.98) MAPK8MAPK9MAPK10LRRK2ALK
Hydrochloric Acid SCHEMBL2753098 0.84 MAPK8 (0.98) MAPK8MAPK9MAPK10LRRK2ALK
SCHEMBL2753079 0.83 MAPK8 (0.64) MAPK8MAPK9MAPK10ALKPIK3CG

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-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-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
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
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 MAPK8 26/4885MAPK9 20/4885MAPK10 11/4885

“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.