SCHEMBL13628172

SCHEMBL13628172

COc1cc(CNC(=O)c2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR7 P34969 1/20 0.40
NAMPT P43490 1/20 0.39
DRD2 P14416 4/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
WDR5 P61964 3/20 0.39
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL14269979 0.90 POLB (0.42) LMNAPOLBMAPTNPC1RAB9A
SCHEMBL13628171 0.90 POLB (0.46) POLBMAPTNPC1RAB9ANPSR1
SCHEMBL13628168 0.90 DRD2 (0.42) LMNAPOLBMAPTTP53NPC1
SCHEMBL13628175 0.89 DRD2 (0.45) LMNAPOLBMAPTTP53NPC1
SCHEMBL13628183 0.88 POLB (0.41) LMNAPOLBMAPTTP53NPC1
SCHEMBL13628184 0.88 ALDH1A1 (0.44) POLBMAPTNPC1RAB9ANPSR1
SCHEMBL13628232 0.88 POLB (0.39) POLBMAPTTP53NPC1RAB9A
SCHEMBL13628176 0.87 POLB (0.40) POLBMAPTNPC1RAB9ANPSR1
SCHEMBL13628181 0.86 MAPT (0.44) LMNAPOLBMAPTTP53NPC1
SCHEMBL13628180 0.86 POLB (0.43) POLBMAPTTP53NPC1RAB9A

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 2123/4885POLB 2623/4885MAPT 1666/4885

“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.