SCHEMBL12829932

SCHEMBL12829932

O=C(NCCO)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.57
MAPK9 P45984 1/20 0.57
MAPK10 P53779 1/20 0.57
AXL P30530 6/20 0.56
SGK1 O00141 4/20 0.56
CAMKK2 Q96RR4 2/20 0.56
CLK1 P49759 4/20 0.52
DYRK1A Q13627 4/20 0.52
DYRK2 Q92630 4/20 0.52
DYRK1B Q9Y463 4/20 0.52
MAP3K11 Q16584 2/20 0.51
NEK1 Q96PY6 2/20 0.50
CDK8 P49336 1/20 0.48
TNIK Q9UKE5 1/20 0.48

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
SCHEMBL8320314 0.91 MAPK8 (0.59) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL8322707 0.88 MAPK8 (0.61) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL8319993 0.86 MAPK8 (0.55) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL13745344 0.86 MAPK8 (0.58) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL8323358 0.85 MAPK8 (0.54) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL8321101 0.85 GSK3B (0.56) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL8320015 0.85 MAPK8 (0.65) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL8320085 0.83 AXL (0.76) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL8321373 0.83 MAPK8 (0.57) MAPK8MAPK9MAPK10AXLSGK1
SCHEMBL12829477 0.83 MAPK8 (0.53) MAPK8MAPK9MAPK10AXLSGK1

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-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US 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 (1 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 MAPK8 50/4885MAPK9 43/4885MAPK10 31/4885

“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.