SCHEMBL4401879

SCHEMBL4401879

CC(C)N1CCN([C@H]2CC[C@@H](c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)CC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.76
MAPK9 P45984 2/20 0.76
MAPK10 P53779 2/20 0.76
PIK3CG P48736 10/20 0.43
ALK Q9UM73 8/20 0.42

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
SCHEMBL16374575 1.00 MAPK8 (0.76) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL2753901 1.00 MAPK8 (0.76) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL2753898 1.00 MAPK8 (0.76) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL2752448 0.90 MAPK8 (0.82) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL4402177 0.90 MAPK8 (0.82) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL2752444 0.90 MAPK8 (0.82) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL2753797 0.89 MAPK8 (0.84) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL2752057 0.89 MAPK8 (0.84) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL4402173 0.89 MAPK8 (0.84) MAPK8MAPK9MAPK10PIK3CGALK
SCHEMBL2752060 0.89 MAPK8 (0.84) MAPK8MAPK9MAPK10PIK3CGALK

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 4 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
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.