SCHEMBL1798123

SCHEMBL1798123

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 6/20 0.37
▸ CAMKK2 Q96RR4 6/20 0.37
▸ SGK1 O00141 5/20 0.37
▸ CCNT1 O60563 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CLK1 P49759 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ DYRK2 Q92630 3/20 0.35
▸ DYRK1B Q9Y463 3/20 0.35
▸ AURKA O14965 1/20 0.35
▸ CAMKK1 Q8N5S9 1/20 0.35
▸ SGK3 Q96BR1 1/20 0.35
▸ SGK2 Q9HBY8 1/20 0.35
▸ NEK1 Q96PY6 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ROCK1 Q13464 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
SCHEMBL12616725 0.88 BTK (0.39) AXLCAMKK2SGK1CCNT1CCNA2
SCHEMBL1799327 0.87 MAP3K11 (0.44) CYP3A4ROCK1
SCHEMBL1799017 0.86 NTRK1 (0.44) ROCK1
SCHEMBL1801628 0.78 AXL (0.40) AXLCAMKK2SGK1CCNT1CCNA2
SCHEMBL1796715 0.77 AXL (0.61) AXLCAMKK2SGK1CDK2DYRK1A
SCHEMBL1801625 0.75 AXL (0.40) AXLCAMKK2SGK1CCNT1CCNA2
SCHEMBL1799923 0.74 DYRK1A (0.50) AXLCAMKK2SGK1CDK2CLK1
SCHEMBL2753124 0.73 ALK (0.51) —
SCHEMBL3348998 0.71 CAMKK2 (0.43) CAMKK2SGK1CCNA2CDK2DYRK1A
SCHEMBL1799783 0.71 MAPK8 (0.38) CAMKK2SGK1AURKACAMKK1SGK3

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 7 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
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 AXL 4302/4885CAMKK2 127/4885SGK1 113/4885

“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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