SCHEMBL1799521

SCHEMBL1799521

CC1CCC(c2cnc3[nH]cc(-c4csc(C(=O)N5CCN(C)CC5)n4)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 3/20 0.41
▸ WDR5 P61964 2/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ ROCK1 Q13464 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ TNIK Q9UKE5 2/20 0.37
▸ IL2 P60568 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ CIT O14578 1/20 0.35

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
SCHEMBL8172010 0.93 MAP3K11 (0.42) MAP3K11WDR5MAPK8MAPK9MAPK10
SCHEMBL1800574 0.92 MAP3K11 (0.42) MAP3K11WDR5MAPK8MAPK9MAPK10
SCHEMBL1802085 0.92 JAK3 (0.39) MAP3K11MAPK8MAPK9MAPK10TNIK
SCHEMBL1801418 0.91 MAPK8 (0.47) WDR5MAPK8MAPK9MAPK10ROCK1
SCHEMBL1799652 0.88 MAPK8 (0.57) MAP3K11WDR5MAPK8MAPK9MAPK10
SCHEMBL8176817 0.88 MAPK8 (0.57) MAP3K11WDR5MAPK8MAPK9MAPK10
SCHEMBL1799651 0.88 MAPK8 (0.57) MAP3K11WDR5MAPK8MAPK9MAPK10
SCHEMBL1799783 0.85 MAPK8 (0.38) MAPK8MAPK9MAPK10ROCK1CYP3A4
SCHEMBL1799160 0.85 HTR2C (0.38) MAP3K11MAPK8MAPK9MAPK10TNIK
SCHEMBL1798651 0.83 MAPK8 (0.37) MAPK8MAPK9MAPK10ROCK1CYP3A4

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 MAP3K11 19/4885WDR5 1241/4885MAPK8 33/4885

“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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