SCHEMBL13628281

SCHEMBL13628281

COc1ccc(CC(=O)Nc2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N/O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
ROCK2 O75116 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
MAPK8 P45983 1/20 0.40
EPHX2 P34913 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13637629 0.89 MAPT (0.42) MAPTLMNASMN1; SMN2ALDH1A1TP53
SCHEMBL13628206 0.88 TDP1 (0.38) MAPTSMN1; SMN2NPSR1MAPK8ALDH1A1
SCHEMBL13628155 0.88 KDM4E (0.38) MAPTLMNASMN1; SMN2NPSR1MAPK8
SCHEMBL13628308 0.87 MAPK8 (0.39) MAPTSMN1; SMN2NPSR1MAPK8ALDH1A1
SCHEMBL13628160 0.86 MAPK8 (0.42) MAPTLMNAROCK2SMN1; SMN2NPSR1
SCHEMBL13628163 0.86 KDM4E (0.43) MAPTLMNASMN1; SMN2NPSR1MAPK8
SCHEMBL13628152 0.86 MAPK8 (0.39) LMNASMN1; SMN2NPSR1MAPK8ACHE
SCHEMBL13628303 0.85 RAB9A (0.42) MAPTLMNASMN1; SMN2NPSR1HTT
SCHEMBL13628203 0.85 NPC1 (0.43) MAPTSMN1; SMN2NPSR1HTTACHE
SCHEMBL13628164 0.85 MAPK8 (0.38) MAPTNPSR1MAPK8ALDH1A1TDP1

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 MAPT 1666/4885LMNA 2123/4885ROCK2 246/4885

“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.