SCHEMBL4466997

SCHEMBL4466997

CN(C)C1CCC(c2cnc3c(c2)c(-c2cnn(C)c2)cn3S)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.43
MAPK9 P45984 2/20 0.43
MAPK10 P53779 2/20 0.43
GSK3B P49841 4/20 0.39
DYRK1A Q13627 4/20 0.39
LRRK2 Q5S007 2/20 0.39
WNT1 P04628 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.36
CREBBP Q92793 2/20 0.34
PIK3CA P42336 2/20 0.33
BRD4 O60885 1/20 0.33
IRAK1 P51617 1/20 0.32
AXL P30530 1/20 0.32
CHEK1 O14757 2/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL10227760 0.90 MAPK8 (0.40) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL4453963 0.90 MAPK8 (0.40) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL4460642 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL4453961 0.88 MAPK8 (0.39) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL4479520 0.88 MAPK8 (0.39) MAPK8MAPK9MAPK10GSK3BDYRK1A
SCHEMBL4453731 0.88 MAPK8 (0.45) MAPK8MAPK9MAPK10IRAK4CREBBP
SCHEMBL4461635 0.88 CREBBP (0.45) MAPK8MAPK9MAPK10IRAK4CREBBP
SCHEMBL10227421 0.86 CREBBP (0.46) MAPK8MAPK9MAPK10CREBBPPIK3CA
SCHEMBL4465149 0.86 CREBBP (0.46) MAPK8MAPK9MAPK10CREBBPPIK3CA
SCHEMBL4457799 0.86 MAPK8 (0.39) MAPK8MAPK9MAPK10LRRK2CREBBP

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.