SCHEMBL4402102

SCHEMBL4402102

Brc1cnc2[nH]cc(-c3cnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.63
▸ PLK4 O00444 1/20 0.63
▸ AURKA O14965 1/20 0.63
▸ ROCK2 O75116 1/20 0.63
▸ PRKD3 O94806 1/20 0.63
▸ MAP4K4 O95819 1/20 0.63
▸ PRKCG P05129 1/20 0.63
▸ INSR P06213 1/20 0.63
▸ CDK1 P06493 1/20 0.63
▸ FES P07332 1/20 0.63
▸ IGF1R P08069 1/20 0.63
▸ ROS1 P08922 1/20 0.63
▸ FGFR1 P11362 1/20 0.63
▸ PHKG2 P15735 1/20 0.63
▸ FER P16591 1/20 0.63
▸ FLT1 P17948 1/20 0.63
▸ CDK2 P24941 1/20 0.63
▸ MARK3 P27448 1/20 0.63
▸ FLT4 P35916 1/20 0.63
▸ KDR P35968 1/20 0.63

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
SCHEMBL8445630 0.86 NTRK1 (0.48) JAK2PLK4AURKAROCK2PRKD3
SCHEMBL8445000 0.86 ALK (0.46) JAK2PLK4AURKAROCK2PRKD3
SCHEMBL8488878 0.86 AXL (0.46) JAK2PLK4AURKAROCK2PRKD3
SCHEMBL8443762 0.84 AXL (0.52) JAK2PLK4AURKAROCK2PRKD3
SCHEMBL13356751 0.84 AXL (0.51) JAK2PLK4AURKAROCK2PRKD3
SCHEMBL12829942 0.83 NTRK1 (0.56) DYRK1AAXLCDK8TNIKALK
SCHEMBL8320062 0.83 AXL (0.54) CDK2CLK2DYRK1ACLK4AXL
SCHEMBL3353882 0.82 AXL (0.50) JAK2ROCK2PRKD3MAP4K4PRKCG
SCHEMBL13505050 0.82 AXL (0.44) JAK2PLK4AURKAROCK2PRKD3
SCHEMBL8313445 0.80 KIT (0.53) AXLCDK8TNIKALKNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 — — US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 — — US disclosed
US-7645769-B2 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-12 — — 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
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 — — US disclosed
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation EISAI CO., LTD. (JP) 2007-03-29 — — US disclosed
EP-1749829-A1 JNK inhibitors Eisai London Research Laboratories Limited (GB) 2007-02-07 — — EP disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 — — 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 (3 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-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION NFKBIA, CHUK, MAP3K1 JAK2 1391/4885PLK4 1567/4885AURKA 2232/4885
US-20070072896-A1 Inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders relating to apoptosis and/or inflammation NFKBIA, CHUK, MAP3K1 JAK2 1391/4885PLK4 1567/4885AURKA 2232/4885
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 JAK2 100/4885PLK4 2851/4885AURKA 1264/4885

“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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