SCHEMBL2753705

SCHEMBL2753705

FC(F)n1cc(-c2c[nH]c3ncc([C@H]4CC[C@H](N5CCOCC5)CC4)cc23)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.77
MAPK9 P45984 2/20 0.77
MAPK10 P53779 2/20 0.77
IRAK4 Q9NWZ3 9/20 0.38
IL2 P60568 2/20 0.38
MAP4K1 Q92918 2/20 0.38
JAK1 P23458 2/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
NTRK1 P04629 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MAP3K12 Q12852 2/20 0.35
IRAK1 P51617 2/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
IRAK2 O43187 1/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL2753701 1.00 MAPK8 (0.77) MAPK8MAPK9MAPK10IRAK4IL2
SCHEMBL4402160 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4IL2
SCHEMBL2752410 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4IL2
SCHEMBL2752407 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4IL2
Hydrochloric Acid SCHEMBL2753094 0.86 MAPK8 (0.98) MAPK8MAPK9MAPK10IRAK4IL2
Hydrochloric Acid SCHEMBL2753098 0.86 MAPK8 (0.98) MAPK8MAPK9MAPK10IRAK4IL2
SCHEMBL2753454 0.84 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4IL2
SCHEMBL2753458 0.84 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4IL2
SCHEMBL4402186 0.84 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK4IL2
SCHEMBL2752455 0.83 MAPK8 (0.78) MAPK8MAPK9MAPK10NTRK1PIK3CD

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 7 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
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-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
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.