SCHEMBL1796068

SCHEMBL1796068

O=C(c1nc(-c2c[nH]c3ncc([C@H]4CC[C@H](N5CCOCC5)CC4)cc23)cs1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.56
▸ MAPK9 P45984 2/20 0.56
▸ MAPK10 P53779 2/20 0.56
▸ HTR2C P28335 2/20 0.46
▸ NTRK1 P04629 2/20 0.44
▸ WDR5 P61964 1/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ KIT P10721 1/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ TYK2 P29597 2/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL1796067 1.00 MAPK8 (0.56) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL8167686 1.00 MAPK8 (0.56) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL1800226 0.96 MAPK8 (0.54) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL1800224 0.96 MAPK8 (0.54) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL8165531 0.96 MAPK8 (0.54) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL1799652 0.94 MAPK8 (0.57) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL8176817 0.94 MAPK8 (0.57) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL1799651 0.94 MAPK8 (0.57) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL1800010 0.92 MAPK8 (0.58) MAPK8MAPK9MAPK10HTR2CNTRK1
SCHEMBL8165607 0.92 MAPK8 (0.58) MAPK8MAPK9MAPK10HTR2CNTRK1

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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