SCHEMBL1801883

SCHEMBL1801883

CN1CCCC1c1nc(-c2c[nH]c3ncc([C@H]4CC[C@H](N5CCCC5)CC4)cc23)cs1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.51
▸ MAPK9 P45984 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ ROCK1 Q13464 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ IL2 P60568 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ ERBB2 P04626 2/20 0.32
▸ EPHA2 P29317 2/20 0.32
▸ KDR P35968 2/20 0.32
▸ EPHB4 P54760 2/20 0.32
▸ MAP3K12 Q12852 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ CPT1A P50416 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
SCHEMBL1801882 1.00 MAPK8 (0.51) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL8168360 0.95 MAPK8 (0.48) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1801448 0.95 MAPK8 (0.48) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1801449 0.95 MAPK8 (0.48) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1795895 0.93 MAPK8 (0.59) MAPK8MAPK9MAPK10ROCK1IL2
SCHEMBL8175210 0.93 MAPK8 (0.59) MAPK8MAPK9MAPK10ROCK1IL2
SCHEMBL1795892 0.93 MAPK8 (0.59) MAPK8MAPK9MAPK10ROCK1IL2
SCHEMBL1799175 0.93 MAPK8 (0.62) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL8167255 0.93 MAPK8 (0.62) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1799174 0.93 MAPK8 (0.62) MAPK8MAPK9MAPK10ROCK1CYP3A4

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
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
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

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.

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