SCHEMBL13628206

SCHEMBL13628206

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK8 P45983 1/20 0.38
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
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR5 P32302 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
KDM4E B2RXH2 3/20 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
SCHEMBL13628155 0.92 KDM4E (0.38) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13628308 0.91 MAPK8 (0.39) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13628163 0.90 KDM4E (0.43) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13628152 0.90 MAPK8 (0.39) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13628309 0.89 LMNA (0.38) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13628164 0.89 MAPK8 (0.38) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13628314 0.88 ALDH1A1 (0.37) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13628281 0.88 MAPT (0.45) TDP1ALDH1A1MAPK8POLBRAB9A
SCHEMBL13628208 0.88 KDM4E (0.38) TDP1ALDH1A1MAPK8NPC1POLB
SCHEMBL13637555 0.88 MAPK8 (0.40) TDP1ALDH1A1MAPK8NPC1POLB

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 TDP1 1524/4885ALDH1A1 4310/4885MAPK8 58/4885

“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.