SCHEMBL847031

SCHEMBL847031

CC(=O)c1ccc(C)nc1N[C@@H]1CC[C@@H](CO)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
CHRM3 P20309 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
MELK Q14680 5/20 0.37
SYK P43405 7/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PDE7A Q13946 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MDM2 Q00987 1/20 0.33
PTPN11 Q06124 1/20 0.32

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 0.85 SYK (0.41) BTKCHRM3PDE4APDE4BPDE4C
SCHEMBL2100940 0.83 MAPK8 (0.45) BTKCHRM3PDE4APDE4BPDE4C
SCHEMBL847586 0.83 MAPK8 (0.45) BTKCHRM3PDE4APDE4BPDE4C
SCHEMBL848330 0.83 MAPK8 (0.45) BTKCHRM3PDE4APDE4BPDE4C
SCHEMBL848652 0.80 KDM4E (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL847497 0.80 SYK (0.45) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL849073 0.79 MAPK8 (0.49) SYKJAK2JAK3
SCHEMBL847489 0.76 OPRK1 (0.45) PDE4BSYKIRAK4
SCHEMBL26038535 0.71 IRAK4 (0.38) BTKSYKJAK2PDE7AIRAK4
SCHEMBL846834 0.70 MAPK8 (0.41) SYKJAK2

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 3 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
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 BTK 562/4885CHRM3 308/4885PDE4A 4518/4885

“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.