SCHEMBL1798238

SCHEMBL1798238

C1=C(c2cnc3[nH]ccc3c2)CCC(N2CCCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.44
MAP4K4 O95819 2/20 0.44
FGFR1 P11362 2/20 0.44
FLT1 P17948 2/20 0.44
MARK3 P27448 2/20 0.44
KDR P35968 2/20 0.44
CLK2 P49760 2/20 0.44
MAP4K2 Q12851 2/20 0.44
ROCK1 Q13464 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
PLK4 O00444 1/20 0.44
ROS1 P08922 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1G2 P78368 1/20 0.44
NTRK3 Q16288 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
AURKB Q96GD4 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44

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
SCHEMBL1798243 0.96 PLK4 (0.47) JAK2MAP4K4FGFR1FLT1MARK3
SCHEMBL1797877 0.76 MAPK8 (0.56) JAK2MAP4K4FGFR1FLT1MARK3
SCHEMBL1797882 0.76 MAPK8 (0.56) JAK2MAP4K4FGFR1FLT1MARK3
SCHEMBL1801719 0.76 CCNT1 (0.31) MAPK8MAPK9MAPK10PIK3CD
SCHEMBL1798227 0.71 MAPK8 (0.46) MAPK8MAPK9MAPK10PIK3CG
SCHEMBL34475013 0.71 CDK8 (0.50) JAK2MAP4K4FGFR1FLT1MARK3
SCHEMBL1798069 0.71 PIK3CD (0.32) PIK3CD
SCHEMBL2753432 0.71 MAPK8 (0.66) MAPK8MAPK9MAPK10LRRK2PIK3CG
SCHEMBL4831731 0.70 LRRK2 (0.41) PIK3CAMAPK8MAPK9MAPK10LRRK2
SCHEMBL15272021 0.68 TNKS (0.76)

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 15 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
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-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-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
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 JAK2 100/4885MAP4K4 82/4885FGFR1 3638/4885
US-20100069358-A1 USE OF 7-AZAINDOLES IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPKAPK5, MAPK13 JAK2 147/4885MAP4K4 86/4885FGFR1 3988/4885

“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.