SCHEMBL4464809

SCHEMBL4464809

CCCN(CCO)[C@H]1CC[C@H](c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
LRRK2 Q5S007 1/20 0.32
CHEK1 O14757 2/20 0.32
DRD3 P35462 2/20 0.31
PIK3CA P42336 1/20 0.31
GRM2 Q14416 3/20 0.31
FGFR1 P11362 3/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
DRD4 P21917 1/20 0.31
FGFR2 P21802 2/20 0.30
FGFR4 P22455 2/20 0.30
FGFR3 P22607 2/20 0.30
KDR P35968 2/20 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
SCHEMBL10227439 0.94 MAPK8 (0.38) MAPK8MAPK9MAPK10TLR9TLR8
SCHEMBL4467752 0.92 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CHEK1
SCHEMBL4454330 0.92 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CHEK1
SCHEMBL4457260 0.90 MAPK8 (0.36) MAPK8MAPK9MAPK10TLR9TLR8
SCHEMBL4459775 0.90 MAPK8 (0.36) MAPK8MAPK9MAPK10TLR9TLR8
SCHEMBL4460642 0.88 MAPK8 (0.41) MAPK8MAPK9MAPK10LRRK2CHEK1
SCHEMBL4479520 0.87 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CHEK1
SCHEMBL4453961 0.87 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CHEK1
SCHEMBL4457323 0.83 MAPK8 (0.37) MAPK8MAPK9MAPK10TLR9TLR8
SCHEMBL4453416 0.83 MAPK8 (0.37) MAPK8MAPK9MAPK10TLR9TLR8

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.