Sugi Predict

Sugi Predict / Compounds / SCHEMBL2753993

SCHEMBL2753993

SCHEMBL2753993

Cn1cc(-c2cn(S(=O)(=O)c3ccccc3)c3ncc([C@H]4CC[C@H](N5CCC(F)(F)C5)CC4)cc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.41
▸ MAPK9 P45984 2/20 0.41
▸ MAPK10 P53779 2/20 0.41
▸ CHRM1 P11229 7/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ ACVR1 Q04771 2/20 0.36
▸ BRD4 O60885 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33

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
SCHEMBL2753991 1.00 MAPK8 (0.41) MAPK8MAPK9MAPK10CHRM1PDPK1
SCHEMBL4406269 1.00 MAPK8 (0.41) MAPK8MAPK9MAPK10CHRM1PDPK1
SCHEMBL2752766 0.88 MAPK8 (0.49) MAPK8MAPK9MAPK10PDPK1WNT1
SCHEMBL2753030 0.88 MAPK8 (0.49) MAPK8MAPK9MAPK10PDPK1WNT1
SCHEMBL4405930 0.88 MAPK8 (0.49) MAPK8MAPK9MAPK10PDPK1WNT1
SCHEMBL2752765 0.88 MAPK8 (0.49) MAPK8MAPK9MAPK10PDPK1WNT1
SCHEMBL2754353 0.88 PDPK1 (0.41) MAPK8MAPK9MAPK10PDPK1WNT1
SCHEMBL4401938 0.87 MAPK8 (0.44) MAPK8MAPK9MAPK10PDPK1WNT1
SCHEMBL16374576 0.87 MAPK8 (0.44) MAPK8MAPK9MAPK10PDPK1WNT1
SCHEMBL2753080 0.87 MAPK8 (0.44) MAPK8MAPK9MAPK10PDPK1WNT1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 — — EP disclosed
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 — — EP disclosed
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-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
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.