SCHEMBL3349513

SCHEMBL3349513

O=C(O)Nc1cnc2[nH]cc(-c3ccoc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.62
IGF1R P08069 2/20 0.54
AXL P30530 9/20 0.52
PRKD3 O94806 5/20 0.52
MAP4K4 O95819 5/20 0.52
NTRK1 P04629 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

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
SCHEMBL3349281 0.84 DYRK1A (0.70) CDK8IGF1RAXLPRKD3MAP4K4
SCHEMBL8442246 0.83 CDK8 (0.52) CDK8IGF1RAXLPRKD3MAP4K4
SCHEMBL2184197 0.82 CDK8 (0.65) CDK8IGF1RAXLPRKD3NTRK1
SCHEMBL8281304 0.79 CDK8 (0.60) CDK8IGF1RAXLPRKD3NTRK1
SCHEMBL8320115 0.79 CDK8 (0.84) CDK8IGF1RAXLNTRK1CDK2
SCHEMBL13705606 0.79 PRKD3 (0.58) CDK8IGF1RAXLPRKD3MAP4K4
SCHEMBL3346633 0.79 PRKD3 (0.52) IGF1RAXLPRKD3MAP4K4NTRK1
SCHEMBL13746026 0.77 CDK8 (0.64) CDK8IGF1RAXLPRKD3MAP4K4
SCHEMBL12410693 0.77 CDK8 (0.58) CDK8IGF1RAXLCDK2DYRK1A
SCHEMBL13745464 0.77 CDK8 (1.00) CDK8IGF1RAXLNTRK1CDK2

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 CDK8 460/4885IGF1R 2052/4885AXL 3757/4885
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 CDK8 460/4885IGF1R 2052/4885AXL 3757/4885

“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.