SCHEMBL12829935

SCHEMBL12829935

O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
RAB9A P51151 10/20 0.48
NPC1 O15118 9/20 0.48
CLK1 P49759 4/20 0.48
DYRK1A Q13627 4/20 0.48
DYRK1B Q9Y463 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 2/20 0.48
TP53 P04637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MELK Q14680 1/20 0.47
DYRK2 Q92630 2/20 0.47
AXL P30530 2/20 0.47
SGK1 O00141 2/20 0.47
CAMKK2 Q96RR4 2/20 0.47

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
SCHEMBL13746370 0.95 KIT (0.52) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8313904 0.84 DYRK1A (0.56) MAPK8MAPK9MAPK10CLK1DYRK1A
SCHEMBL8321442 0.84 KIT (0.61) MAPK8MAPK9MAPK10CLK1DYRK1A
SCHEMBL8320090 0.83 AXL (0.62) MAPK8MAPK9MAPK10CLK1DYRK1A
SCHEMBL8321878 0.82 ROCK1 (0.58) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8322030 0.82 DYRK1A (0.58) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8313409 0.80 AXL (0.58) MAPK8MAPK9MAPK10CLK1DYRK1A
SCHEMBL8323639 0.80 PABPC1 (0.52) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8320015 0.79 MAPK8 (0.65) MAPK8MAPK9MAPK10CLK1DYRK1A
SCHEMBL12829277 0.77 KIT (0.70) MAPK8MAPK9MAPK10CLK1DYRK1A

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.