SCHEMBL4408675

SCHEMBL4408675

COCCN[C@H]1CC[C@@H](c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.60
MAPK9 P45984 2/20 0.60
MAPK10 P53779 2/20 0.60
GSK3B P49841 2/20 0.45
DYRK1A Q13627 2/20 0.45
ALK Q9UM73 13/20 0.44
PIK3CG P48736 1/20 0.41
IL2 P60568 1/20 0.41
MAP4K1 Q92918 1/20 0.41
PDPK1 O15530 1/20 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
SCHEMBL2751511 1.00 MAPK8 (0.60) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL2751514 1.00 MAPK8 (0.60) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL2751520 0.91 MAPK8 (0.58) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL2751519 0.91 MAPK8 (0.58) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL4401905 0.91 MAPK8 (0.58) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL4401907 0.89 MAPK8 (0.62) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL2751642 0.89 MAPK8 (0.62) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL2751644 0.89 MAPK8 (0.62) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL2753787 0.87 MAPK8 (0.65) MAPK8MAPK9MAPK10ALKPIK3CG
SCHEMBL2753625 0.83 MAPK8 (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 EP 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-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.