SCHEMBL5377138

SCHEMBL5377138

COC(C)OCn1nc(Br)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.45
ACHE P22303 7/20 0.45
CNR1 P21554 6/20 0.45
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F2RL3 Q96RI0 1/20 0.39
GLS O94925 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38
CTRB1 P17538 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5377924 0.82 L3MBTL1 (0.52) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL5372163 0.81 ACHE (0.50) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL5375068 0.79 L3MBTL1 (0.44) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL26630273 0.79 MAPT (0.51) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL30183407 0.77 CNR2 (0.45) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL2470918 0.77 CNR2 (0.45) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL5382788 0.76 GLS (0.37) CNR2ACHECNR1KMT2AGLS
SCHEMBL28483269 0.76 CNR2 (0.42) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL30695536 0.76 CNR2 (0.42) CNR2ACHECNR1MAPTL3MBTL1
SCHEMBL30628634 0.75 L3MBTL1 (0.62) CNR2ACHECNR1MAPTL3MBTL1

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 CNR2 1118/4885ACHE 3481/4885CNR1 1069/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CNR2 1608/4885ACHE 2800/4885CNR1 1508/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT CNR2 1322/4885ACHE 1791/4885CNR1 1788/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CNR2 1556/4885ACHE 2632/4885CNR1 1473/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 CNR2 1608/4885ACHE 2800/4885CNR1 1508/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R CNR2 969/4885ACHE 1705/4885CNR1 1432/4885

“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.