SCHEMBL1799783

SCHEMBL1799783

CC1CCC(c2cnc3[nH]cc(-c4csc(C(=O)O)n4)c3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.38
▸ MAPK9 P45984 2/20 0.38
▸ MAPK10 P53779 2/20 0.38
▸ ROCK1 Q13464 7/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ SGK1 O00141 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ CAMKK1 Q8N5S9 1/20 0.36
▸ SGK3 Q96BR1 1/20 0.36
▸ CAMKK2 Q96RR4 1/20 0.36
▸ SGK2 Q9HBY8 1/20 0.36
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ JAK3 P52333 3/20 0.34
▸ NTRK1 P04629 1/20 0.34

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
SCHEMBL1796713 0.90 CAMKK2 (0.43) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1798651 0.89 MAPK8 (0.37) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1802085 0.86 JAK3 (0.39) MAPK8MAPK9MAPK10JAK2JAK1
SCHEMBL1799521 0.85 MAP3K11 (0.41) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1801418 0.85 MAPK8 (0.47) MAPK8MAPK9MAPK10ROCK1JAK2
SCHEMBL1800010 0.84 MAPK8 (0.58) MAPK8MAPK9MAPK10JAK2JAK1
SCHEMBL8165607 0.84 MAPK8 (0.58) MAPK8MAPK9MAPK10JAK2JAK1
SCHEMBL1800012 0.84 MAPK8 (0.58) MAPK8MAPK9MAPK10JAK2JAK1
SCHEMBL1796868 0.80 CAMKK2 (0.39) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1799160 0.78 HTR2C (0.38) MAPK8MAPK9MAPK10SGK1AURKA

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 9 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
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.

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