SCHEMBL13628164

SCHEMBL13628164

CN(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
MAPK8 P45983 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
PRKCQ Q04759 1/20 0.37
PARP1 P09874 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
NPY5R Q15761 4/20 0.33
CXCR5 P32302 1/20 0.33
HSD17B10 Q99714 1/20 0.32
TNKS O95271 1/20 0.32
PARP15 Q460N3 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
SCHEMBL13628308 0.91 MAPK8 (0.39) MAPK8AAK1ALDH1A1TDP1NPC1
SCHEMBL13628163 0.90 KDM4E (0.43) MAPK8AAK1ALDH1A1TDP1NPC1
SCHEMBL13628152 0.90 MAPK8 (0.39) MAPK8AAK1ALDH1A1TDP1NPC1
SCHEMBL13628155 0.89 KDM4E (0.38) MAPK8ALDH1A1TDP1NPC1POLB
SCHEMBL13628206 0.89 TDP1 (0.38) MAPK8AAK1ALDH1A1TDP1NPC1
SCHEMBL13628309 0.89 LMNA (0.38) MAPK8AAK1ALDH1A1TDP1NPC1
SCHEMBL13628314 0.88 ALDH1A1 (0.37) MAPK8ALDH1A1TDP1NPC1POLB
SCHEMBL13628208 0.88 KDM4E (0.38) MAPK8AAK1ALDH1A1TDP1NPC1
SCHEMBL13637555 0.88 MAPK8 (0.40) MAPK8AAK1ALDH1A1TDP1NPC1
SCHEMBL13628312 0.87 ALDH1A1 (0.36) MAPK8ALDH1A1TDP1NPC1POLB

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 58/4885AAK1 238/4885PRKCQ 156/4885

“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.