SCHEMBL1798227

SCHEMBL1798227

CN1CCC(c2nc(-c3c[nH]c4ncc(C5=CCC(N6CCCOCC6)CC5)cc34)cs2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
IL2 P60568 3/20 0.36
MAP4K1 Q92918 3/20 0.36
MAP3K12 Q12852 10/20 0.35
IRAK4 Q9NWZ3 2/20 0.33
PIK3CG P48736 1/20 0.33
DLK1 P80370 1/20 0.33
GLS O94925 1/20 0.32
GLS2 Q9UI32 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 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
SCHEMBL1799671 0.97 MAPK8 (0.43) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL12652268 0.85 MAPK8 (0.33) MAPK8MAPK9MAPK10IRAK4
SCHEMBL1801507 0.83 MAPK8 (0.64) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1801506 0.83 MAPK8 (0.64) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1798968 0.82 MAP4K1 (0.45) MAPK8IL2MAP4K1MAP3K12DLK1
SCHEMBL1798565 0.80 MAPK8 (0.62) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1798563 0.80 MAPK8 (0.62) MAPK8MAPK9MAPK10IL2MAP4K1
SCHEMBL1801284 0.79 BRD4 (0.34)
SCHEMBL12652241 0.78 MAPK8 (0.30) MAPK8MAPK9MAPK10MAP3K12
SCHEMBL2753432 0.76 MAPK8 (0.66) MAPK8MAPK9MAPK10IRAK4PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-7951802-B2 Use of 7-azaindoles in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-31 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 US disclosed
EP-2125801-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE Eisai R&D Management Co., Ltd. (JP) 2009-12-02 EP disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO disclosed
WO-2008095943-A1 THE USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO. LTD. (JP) 2008-08-14 WO 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-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 MAPK8 33/4885MAPK9 27/4885MAPK10 28/4885

“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.