SCHEMBL4465305

SCHEMBL4465305

Cn1cc(C2CNc3ncc(C4CCC(N5CCC(F)(F)C5)CC4)cc32)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK10 P53779 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
IDH1 O75874 1/20 0.32
CNR2 P34972 1/20 0.31
LRRK2 Q5S007 2/20 0.31
CHRM1 P11229 1/20 0.31
CD38 P28907 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
SCHEMBL4459269 0.85 MAPK8 (0.44) MAPK8MAPK9MAPK10LRRK2
SCHEMBL4467413 0.83 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2
SCHEMBL4458450 0.83 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2
SCHEMBL4471248 0.83 MAPK8 (0.53) MAPK8MAPK9MAPK10IRAK4
SCHEMBL4457547 0.80 MAPK8 (0.30) MAPK8MAPK9MAPK10
SCHEMBL10227428 0.77 GSK3B (0.32) MAPK8MAPK9MAPK10IRAK4
SCHEMBL16374458 0.72 MAPK8 (0.71) MAPK8MAPK9MAPK10LRRK2
SCHEMBL2753742 0.72 MAPK8 (0.71) MAPK8MAPK9MAPK10LRRK2
SCHEMBL2753745 0.72 MAPK8 (0.71) MAPK8MAPK9MAPK10LRRK2
SCHEMBL4457793 0.71 GSK3B (0.40) MAPK8MAPK9MAPK10IRAK4LRRK2

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 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.