SCHEMBL13628309

SCHEMBL13628309

CC(C)CC(=O)Nc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPK8 P45983 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL13628208 0.91 KDM4E (0.38) MAPK8AAK1ALDH1A1TDP1RAB9A
SCHEMBL13628308 0.91 MAPK8 (0.39) MAPK8AAK1ALDH1A1TDP1RAB9A
SCHEMBL13628163 0.90 KDM4E (0.43) LMNAMAPK8AAK1ALDH1A1TDP1
SCHEMBL13628152 0.90 MAPK8 (0.39) LMNAMAPK8AAK1ALDH1A1TDP1
SCHEMBL13628155 0.89 KDM4E (0.38) LMNAMAPK8ALDH1A1TDP1RAB9A
SCHEMBL13628164 0.89 MAPK8 (0.38) MAPK8AAK1ALDH1A1TDP1RAB9A
SCHEMBL13628206 0.89 TDP1 (0.38) MAPK8AAK1ALDH1A1TDP1RAB9A
SCHEMBL13628314 0.88 ALDH1A1 (0.37) MAPK8ALDH1A1TDP1RAB9ANPC1
SCHEMBL13637555 0.88 MAPK8 (0.40) LMNAMAPK8AAK1ALDH1A1TDP1
SCHEMBL13628312 0.87 ALDH1A1 (0.36) MAPK8ALDH1A1TDP1RAB9ANPC1

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 LMNA 2123/4885MAPK8 58/4885AAK1 238/4885

“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.