SCHEMBL13628208

SCHEMBL13628208

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
RECQL P46063 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TSHR P16473 2/20 0.35
CXCR5 P32302 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 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
SCHEMBL13628152 0.92 MAPK8 (0.39) KDM4EMAPK8ALDH1A1NPC1POLB
SCHEMBL13628309 0.91 LMNA (0.38) KDM4EMAPK8ALDH1A1KMT2ANPC1
SCHEMBL13628308 0.90 MAPK8 (0.39) KDM4EMAPK8ALDH1A1HPGDHSD17B10
SCHEMBL13628279 0.89 KCNQ2 (0.39) ALDH1A1KMT2ANPC1POLBRAB9A
SCHEMBL13628163 0.89 KDM4E (0.43) KDM4EMAPK8ALDH1A1HPGDHSD17B10
SCHEMBL13628275 0.88 NPC1 (0.35) KDM4EMAPK8ALDH1A1HPGDKMT2A
SCHEMBL13628148 0.88 MAPK8 (0.37) KDM4EMAPK8ALDH1A1NPC1POLB
SCHEMBL13628164 0.88 MAPK8 (0.38) MAPK8ALDH1A1HSD17B10KMT2ANPC1
SCHEMBL13628155 0.88 KDM4E (0.38) KDM4EMAPK8ALDH1A1NPC1POLB
SCHEMBL13628206 0.88 TDP1 (0.38) KDM4EMAPK8ALDH1A1HSD17B10KMT2A

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 KDM4E 2171/4885MAPK8 58/4885ALDH1A1 4310/4885

“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.