SCHEMBL1801553

SCHEMBL1801553

CN1CCN(C(=O)c2nc(-c3c[nH]c4ncc(Br)cc34)cs2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 4/20 0.45
▸ ROCK1 Q13464 5/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ PDPK1 O15530 1/20 0.41
▸ WDR5 P61964 2/20 0.40
▸ TNIK Q9UKE5 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL1798655 0.90 CYP3A4 (0.44) MAP3K11ROCK1CYP3A4PDPK1TNIK
SCHEMBL1797469 0.88 HTR2C (0.53) ROCK1CYP3A4PDPK1WDR5JAK2
SCHEMBL1800577 0.85 MAP3K11 (0.55) MAP3K11TNIKIGF1R
SCHEMBL8172010 0.84 MAP3K11 (0.42) MAP3K11ROCK1CYP3A4WDR5TNIK
SCHEMBL8442733 0.84 ROCK1 (0.43) MAP3K11ROCK1CYP3A4WDR5TNIK
SCHEMBL1800574 0.83 MAP3K11 (0.42) MAP3K11ROCK1CYP3A4WDR5TNIK
SCHEMBL1799521 0.83 MAP3K11 (0.41) MAP3K11ROCK1CYP3A4WDR5TNIK
SCHEMBL4403894 0.83 MAP4K1 (0.55) MAP3K11TNIKDYRK1A
SCHEMBL8442292 0.83 ROCK1 (0.43) MAP3K11ROCK1CYP3A4WDR5TNIK
SCHEMBL1801258 0.82 MAP3K11 (0.46) MAP3K11ROCK1CYP3A4WDR5TNIK

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 19/4885ROCK1 398/4885CYP3A4 3272/4885

“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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