SCHEMBL4458088

SCHEMBL4458088

Cn1cc(C2CN(S(=O)(=O)c3ccccc3)c3ncc(C4=CCC(N5CCCOCC5)CC4)cc32)cn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
TNKS O95271 3/20 0.31
HPGD P15428 1/20 0.31
ACVR1 Q04771 3/20 0.31
KDM2B Q8NHM5 1/20 0.31
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
ACVR1B P36896 1/20 0.31
TGFBR1 P36897 1/20 0.31
DRD3 P35462 2/20 0.30
HTR6 P50406 1/20 0.30
WNT1 P04628 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
TACR1 P25103 1/20 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
SCHEMBL2282633 0.78 MAPK8 (0.37) MAPK8MAPK9MAPK10HPGDACVR1
SCHEMBL2751661 0.77 MAPK8 (0.41) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL4466284 0.77 POLB (0.32) WNT1GSK3BDYRK1A
SCHEMBL4453845 0.74 PDPK1 (0.33) WNT1GSK3BDYRK1A
SCHEMBL2753526 0.74 PDPK1 (0.40) MAPK8MAPK9MAPK10ACVR1BMPR1B
SCHEMBL4457073 0.72 HDAC3 (0.35) DRD3HTR6WNT1GSK3BDYRK1A
SCHEMBL4454826 0.70 MAP3K12 (0.32)
SCHEMBL13505776 0.69 DRD3 (0.32) DRD3HTR6
SCHEMBL2281187 0.69 IRAK4 (0.37) MAPK8MAPK9MAPK10PIK3CAACVR1
SCHEMBL4470192 0.69 PIK3CA (0.38) PIK3CAHPGDHTR6

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.