SCHEMBL4464274

SCHEMBL4464274

Cn1cc(-c2cn(S)c3ncc(C4CCC(CO)CC4)cc23)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
MAPK10 P53779 2/20 0.42
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
IRAK1 P51617 5/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
LRRK2 Q5S007 2/20 0.35
GRM2 Q14416 3/20 0.34
PRMT5 O14744 1/20 0.34
CREBBP Q92793 1/20 0.34
CHEK1 O14757 1/20 0.34
AKT1 P31749 1/20 0.34
MTOR P42345 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL10226067 0.90 MAPK8 (0.45) MAPK8MAPK9MAPK10IRAK1IRAK4
SCHEMBL4453731 0.87 MAPK8 (0.45) MAPK8MAPK9MAPK10IRAK1IRAK4
SCHEMBL4461635 0.87 CREBBP (0.45) MAPK8MAPK9MAPK10IRAK1IRAK4
SCHEMBL4465149 0.85 CREBBP (0.46) MAPK8MAPK9MAPK10IRAK1CREBBP
SCHEMBL10227421 0.85 CREBBP (0.46) MAPK8MAPK9MAPK10IRAK1CREBBP
SCHEMBL4460620 0.85 MAPK8 (0.41) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL4470682 0.85 MAPK8 (0.41) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL4457497 0.85 MAPK8 (0.43) MAPK8MAPK9MAPK10IRAK1IRAK4
SCHEMBL4466997 0.84 MAPK8 (0.43) MAPK8MAPK9MAPK10WNT1GSK3B
SCHEMBL4454030 0.84 MAPK8 (0.43) MAPK8MAPK9MAPK10IRAK1IRAK4

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.