SCHEMBL4457136

SCHEMBL4457136

Cn1cc(-c2cn(S)c3ncc(C4=CCC(N5CCCOCC5)CC4)cc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
IRAK4 Q9NWZ3 5/20 0.40
IRAK1 P51617 2/20 0.39
GSK3B P49841 4/20 0.36
DYRK1A Q13627 4/20 0.36
WNT1 P04628 3/20 0.34
ACVR1 Q04771 3/20 0.33
RET P07949 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
PIK3CD O00329 1/20 0.32
PTPN11 Q06124 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL4454293 0.97 MAPK8 (0.43) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL4465826 0.88 ACVR1 (0.44) MAPK8MAPK9MAPK10IRAK4ACVR1
SCHEMBL12404156 0.86 MAPK8 (0.42) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL2751661 0.83 MAPK8 (0.41) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL12652268 0.81 MAPK8 (0.33) MAPK8MAPK9MAPK10IRAK4ACVR1
SCHEMBL10227417 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL4453249 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL4460218 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL12404261 0.80 MAPK10 (0.39) MAPK8MAPK9MAPK10IRAK4IRAK1
SCHEMBL4471182 0.80 PTPN11 (0.34) IRAK4IRAK1ACVR1PTPN11LRRK2

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.