SCHEMBL4404043

SCHEMBL4404043

CN(C)C(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 5/20 0.53
▸ AXL P30530 7/20 0.53
▸ CDK8 P49336 3/20 0.53
▸ TNIK Q9UKE5 1/20 0.53
▸ CAMKK2 Q96RR4 4/20 0.53
▸ ABL1 P00519 1/20 0.50
▸ IGF1R P08069 2/20 0.49
▸ PDPK1 O15530 1/20 0.49
▸ NEK1 Q96PY6 1/20 0.49
▸ RIPK1 Q13546 1/20 0.49

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
SCHEMBL1796715 0.88 AXL (0.61) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL15500884 0.83 AXL (0.54) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL15500801 0.82 AXL (0.59) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL1800577 0.81 MAP3K11 (0.55) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL1799165 0.81 AXL (0.49) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL15500880 0.80 SGK1 (0.57) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL1799005 0.80 AXL (0.63) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL15500885 0.80 MAP3K11 (0.57) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL15500802 0.79 CDK8 (0.64) SGK1AXLCDK8TNIKCAMKK2
SCHEMBL1801878 0.79 HTR2C (0.56) SGK1AXLCDK8TNIKCAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765819-B1 AZAINDOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2014-03-12 — — 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-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-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-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
WO-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE 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 (2 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 SGK1 94/4885AXL 4101/4885CDK8 500/4885
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 SGK1 113/4885AXL 4302/4885CDK8 436/4885

“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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