SCHEMBL847489

SCHEMBL847489

CC(=O)c1ccc(C)nc1NC1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.45
MAPK1 P28482 2/20 0.40
TYRO3 Q06418 3/20 0.40
MERTK Q12866 3/20 0.40
LRRK2 Q5S007 2/20 0.40
AXL P30530 2/20 0.40
FLT3 P36888 2/20 0.40
GAS6 Q14393 1/20 0.40
CNR2 P34972 1/20 0.39
MAPK3 P27361 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
EML4 Q9HC35 2/20 0.38
ALK Q9UM73 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
SELP P16109 1/20 0.37
SYK P43405 2/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL847840 0.90 SYK (0.41) MAPK1IRAK4SYKPDE4B
SCHEMBL847497 0.87 SYK (0.45) OPRK1MAPK1SYKPDE4B
SCHEMBL848652 0.87 KDM4E (0.43) OPRK1MAPK1MERTKAXLCNR2
SCHEMBL2100940 0.80 MAPK8 (0.45) TYRO3MERTKFLT3GAS6IRAK4
SCHEMBL848330 0.80 MAPK8 (0.45) TYRO3MERTKFLT3GAS6IRAK4
SCHEMBL847586 0.80 MAPK8 (0.45) TYRO3MERTKFLT3GAS6IRAK4
SCHEMBL849073 0.77 MAPK8 (0.49) SYK
SCHEMBL16220913 0.77 MAPK1 (0.44) OPRK1MAPK1LRRK2IRAK4
SCHEMBL847031 0.76 BTK (0.39) IRAK4SYKPDE4B
SCHEMBL6644500 0.74 CHRM3 (0.44) MAPK1MERTKCNR2SYKPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 OPRK1 1070/4885MAPK1 3/4885TYRO3 245/4885

“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.