SCHEMBL1798655

SCHEMBL1798655

O=C(c1nc(-c2c[nH]c3ncc(Br)cc23)cs1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44
▸ PDPK1 O15530 1/20 0.41
▸ CDK5 Q00535 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ INSR P06213 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ FES P07332 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PHKG2 P15735 1/20 0.40
▸ FER P16591 1/20 0.40
▸ FLT1 P17948 1/20 0.40

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
SCHEMBL1797469 0.90 HTR2C (0.53) CYP3A4ROCK1PDPK1CDK5PLK4
SCHEMBL1801553 0.90 MAP3K11 (0.45) CYP3A4ROCK1PDPK1CDK5PLK4
SCHEMBL1799165 0.84 AXL (0.49) AURKAIGF1RSGK2TNIKMAP3K11
SCHEMBL1799160 0.84 HTR2C (0.38) CDK5AURKAJAK2MAPK8JAK3
SCHEMBL3347662 0.83 ROCK1 (0.37) CYP3A4ROCK1CDK5JAK2JAK3
SCHEMBL1799923 0.82 DYRK1A (0.50) CYP3A4ROCK1PDPK1CDK5PLK4
SCHEMBL1799492 0.82 TNIK (0.40) CDK5CDK2DYRK1AHTR2CTNIK
SCHEMBL8443733 0.81 ROCK1 (0.37) CYP3A4ROCK1PDPK1CDK5JAK2
SCHEMBL1799494 0.81 TNIK (0.39) CDK5CDK2HTR2CTNIKATP4A
SCHEMBL1802085 0.81 JAK3 (0.39) CDK5JAK2MAPK8JAK3HTR2C

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 CYP3A4 3272/4885ROCK1 398/4885PDPK1 546/4885

“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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