SCHEMBL1801878

SCHEMBL1801878

O=C(c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.56
▸ NTRK1 P04629 2/20 0.54
▸ PLK4 O00444 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ ROS1 P08922 1/20 0.49
▸ FGFR1 P11362 1/20 0.49
▸ FLT1 P17948 1/20 0.49
▸ MARK3 P27448 1/20 0.49
▸ FLT4 P35916 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ CLK2 P49760 1/20 0.49
▸ CSNK1G2 P78368 1/20 0.49
▸ MAP4K2 Q12851 1/20 0.49
▸ ROCK1 Q13464 1/20 0.49
▸ NTRK3 Q16288 1/20 0.49
▸ MINK1 Q8N4C8 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ PRKD2 Q9BZL6 1/20 0.49

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
SCHEMBL1799165 0.91 AXL (0.49) AXLSGK1CAMKK2CDK8TNIK
SCHEMBL15500885 0.90 MAP3K11 (0.57) NTRK1PLK4ROS1FGFR1FLT1
SCHEMBL1800577 0.89 MAP3K11 (0.55) AXLSGK1CAMKK2CDK8TNIK
SCHEMBL1797469 0.85 HTR2C (0.53) HTR2CNTRK1PLK4JAK2MAP4K4
SCHEMBL15500866 0.84 AXL (0.45) NTRK1PLK4ROS1FGFR1FLT1
SCHEMBL1798276 0.84 NTRK1 (0.47) HTR2CNTRK1PLK4JAK2MAP4K4
SCHEMBL1798275 0.84 NTRK1 (0.47) HTR2CNTRK1PLK4JAK2MAP4K4
SCHEMBL1796715 0.83 AXL (0.61) NTRK1PLK4ROS1FGFR1FLT1
SCHEMBL15555492 0.82 ALK (0.55) HTR2CNTRK1GSK3B
SCHEMBL15500804 0.82 NTRK1 (0.50) NTRK1PLK4JAK2MAP4K4ROS1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109611-B1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MAN CO LTD (JP) 2015-01-07 — — EP disclosed
EP-1765819-B1 AZAINDOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2014-03-12 — — EP disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 — — US disclosed
US-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 — — 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-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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 — — US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE 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-2008095944-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE 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 (2 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 HTR2C 2115/4885NTRK1 462/4885PLK4 2851/4885
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 HTR2C 2136/4885NTRK1 608/4885PLK4 2966/4885

“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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