SCHEMBL13628258

SCHEMBL13628258

CC(C)CNc1ccc2c(c1)/C(=N/O)C(=O)N2Cc1cc(F)cc2c1OCOC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
CXCR5 P32302 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TSHR P16473 4/20 0.32
UCHL3 P15374 1/20 0.31
UCHL1 P09936 1/20 0.31
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL13628242 0.87 MAOA (0.42) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL13628250 0.85 MAPK8 (0.37) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL13627978 0.85 MAPK8 (0.40) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL21067347 0.85 MAPK8 (0.40) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL13628059 0.85 MAPK8 (0.38) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL14269960 0.84 UCHL3 (0.43) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL14269986 0.84 POLB (0.39) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL13911068 0.84 INSR (0.38) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL13628018 0.84 CA12 (0.41) MAPK8RAB9ANPC1POLBNPSR1
SCHEMBL13628249 0.83 GAA (0.40) MAPK8RAB9ANPC1POLBNPSR1

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-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 MAPK8 58/4885RAB9A 3486/4885NPC1 1715/4885

“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.