SCHEMBL1802085

SCHEMBL1802085

CC1CCC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCCCC5)n4)c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ MAPK8 P45983 2/20 0.39
▸ MAPK9 P45984 2/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ TNIK Q9UKE5 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ MAP3K11 Q16584 2/20 0.34
▸ TYR P14679 1/20 0.34
▸ ATP4A P20648 1/20 0.34
▸ ATP4B P51164 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
SCHEMBL1799160 0.93 HTR2C (0.38) JAK3JAK2JAK1MAPK8MAPK9
SCHEMBL1799521 0.92 MAP3K11 (0.41) JAK3JAK2MAPK8MAPK9MAPK10
SCHEMBL1801418 0.91 MAPK8 (0.47) JAK3JAK2JAK1MAPK8MAPK9
SCHEMBL1800574 0.88 MAP3K11 (0.42) JAK3JAK2MAPK8MAPK9MAPK10
SCHEMBL1800224 0.87 MAPK8 (0.54) JAK2JAK1MAPK8MAPK9MAPK10
SCHEMBL8165531 0.87 MAPK8 (0.54) JAK2JAK1MAPK8MAPK9MAPK10
SCHEMBL1800226 0.87 MAPK8 (0.54) JAK2JAK1MAPK8MAPK9MAPK10
SCHEMBL8172010 0.87 MAP3K11 (0.42) JAK3JAK2MAPK8MAPK9MAPK10
SCHEMBL1799783 0.86 MAPK8 (0.38) JAK3JAK2JAK1MAPK8MAPK9
SCHEMBL1801875 0.86 HTR2C (0.48) JAK2MAPK8MAPK9MAPK10HTR2C

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 JAK3 125/4885JAK2 147/4885JAK1 132/4885

“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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