SCHEMBL12652249

SCHEMBL12652249

Cc1nc(C2CN(S)c3ncc([C@H]4CC[C@H](N5CCOCC5)CC4)cc32)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.41
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
SYK P43405 2/20 0.34
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
ABL1 P00519 1/20 0.31
LCK P06239 1/20 0.31
LYN P07948 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
SRC P12931 1/20 0.31
FGFR3 P22607 1/20 0.31
AXL P30530 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
JAK3 P52333 1/20 0.31
TEK Q02763 1/20 0.31

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
SCHEMBL12652358 1.00 IRAK4 (0.41) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL4468035 0.79 MAPK8 (0.50) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL12652349 0.79 TLR9 (0.32)
SCHEMBL13463059 0.76 MAPK8 (0.53) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL4484609 0.74 MAPK8 (0.50) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL4482885 0.74 MAPK8 (0.50) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL13446704 0.73 IRAK4 (0.46) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL13446703 0.73 IRAK4 (0.46) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL12652250 0.71 MAPK8 (0.37) IRAK4MAPK8MAPK9MAPK10SYK
SCHEMBL13446807 0.71 HRH3 (0.31)

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-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 IRAK4 836/4885MAPK8 33/4885MAPK9 27/4885

“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.