SCHEMBL5375068

SCHEMBL5375068

COc1ccc(-c2nn(COC(C)OC)c3ccc([N+](=O)[O-])cc23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 3/20 0.41
CNR2 P34972 3/20 0.41
PDE4D Q08499 3/20 0.40
PDE4B Q07343 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
CNR1 P21554 2/20 0.40
LMNA P02545 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5372163 0.88 ACHE (0.50) L3MBTL1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL5377924 0.87 L3MBTL1 (0.52) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5377138 0.79 CNR2 (0.45) L3MBTL1MAPTMEN1KMT2AACHE
SCHEMBL5381747 0.70 F2RL3 (0.48) L3MBTL1MAPTMEN1KMT2AACHE
SCHEMBL5518753 0.68 L3MBTL1 (0.58) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5377197 0.68 MAPT (0.62) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL3515950 0.67 L3MBTL1 (0.47) L3MBTL1MAPTRAB9ANPC1ACHE
SCHEMBL5383375 0.67 KDM4E (0.45) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16014237 0.67 L3MBTL1 (0.41) L3MBTL1MAPTACHECNR2PDE4D
SCHEMBL13854996 0.66 L3MBTL1 (0.55) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 WO 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 (6 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 L3MBTL1 2642/4885MAPT 1003/4885RAB9A 1630/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3141/4885MAPT 1000/4885RAB9A 2266/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT L3MBTL1 1035/4885MAPT 4119/4885RAB9A 3346/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3245/4885MAPT 978/4885RAB9A 2494/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 L3MBTL1 3141/4885MAPT 1000/4885RAB9A 2266/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R L3MBTL1 3842/4885MAPT 1102/4885RAB9A 3063/4885

“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.