SCHEMBL3346633

SCHEMBL3346633

O=C(O)Nc1cnc2[nH]cc(-c3cn[nH]c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 5/20 0.52
MAP4K4 O95819 5/20 0.52
NTRK1 P04629 5/20 0.52
AXL P30530 5/20 0.52
FLT4 P35916 5/20 0.52
FLT3 P36888 5/20 0.52
CLK2 P49760 5/20 0.52
MAP4K2 Q12851 5/20 0.52
CAMK2B Q13554 5/20 0.52
CAMK2G Q13555 5/20 0.52
CAMK2D Q13557 5/20 0.52
PTK6 Q13882 5/20 0.52
NTRK3 Q16288 5/20 0.52
PKN2 Q16513 5/20 0.52
MINK1 Q8N4C8 5/20 0.52
PRKD2 Q9BZL6 5/20 0.52
SLK Q9H2G2 5/20 0.52
CLK4 Q9HAZ1 5/20 0.52
MKNK2 Q9HBH9 5/20 0.52
SGK2 Q9HBY8 5/20 0.52

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
SCHEMBL8442154 0.83 MAPK9 (0.47) PRKD3MAP4K4NTRK1AXLFLT4
SCHEMBL8443958 0.82 DYRK1A (0.73) PRKD3MAP4K4NTRK1AXLFLT4
SCHEMBL8442334 0.81 AXL (0.54) PRKD3NTRK1AXLFLT4FLT3
SCHEMBL3349513 0.79 CDK8 (0.62) PRKD3MAP4K4NTRK1AXLFLT4
SCHEMBL3351160 0.77 MAPK8 (0.56) AXLCLK2CLK4MAPK9AURKB
SCHEMBL8320085 0.76 AXL (0.76) AXLMAPK9DYRK1AMAPK8MAPK10
SCHEMBL8280140 0.75 BTK (0.50) AXLBTKMAPK9DYRK1AMAPK8
SCHEMBL8320090 0.75 AXL (0.62) PRKD3MAP4K4NTRK1AXLFLT4
SCHEMBL8320389 0.75 DYRK1A (0.66) PRKD3MAP4K4AXLFLT4FLT3
SCHEMBL3349599 0.75 MAPK8 (0.56) NTRK1AXLMAPK9AURKBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749829-B1 JNK inhibitors EISAI R&D MAN CO LTD (JP) 2010-11-03 EP 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-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

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-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION NFKBIA, CHUK, MAP3K1 PRKD3 188/4885MAP4K4 87/4885NTRK1 1216/4885
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 PRKD3 188/4885MAP4K4 87/4885NTRK1 1216/4885

“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.