Sugi Predict

Sugi Predict / Compounds / SCHEMBL5383076

SCHEMBL5383076

SCHEMBL5383076

COC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC)cc4)c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.60
▸ LRRK2 Q5S007 5/20 0.59
▸ RAB9A P51151 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ ROCK1 Q13464 1/20 0.54
▸ MAP2K4 P45985 2/20 0.53
▸ FLT3 P36888 1/20 0.52
▸ XDH P47989 1/20 0.52
▸ GPR35 Q9HC97 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TTK P33981 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL5378006 0.91 ITK (0.62) ITKLRRK2RAB9ANPC1ROCK1
SCHEMBL5372220 0.89 MAP2K4 (0.65) ITKLRRK2RAB9ANPC1MAP2K4
SCHEMBL5373352 0.89 LRRK2 (0.62) ITKLRRK2MAP2K4FLT3
SCHEMBL5377699 0.89 AURKA (0.60) ITKLRRK2MAP2K4FLT3
SCHEMBL5803139 0.86 AURKA (0.57) ITKLRRK2MAP2K4FLT3
SCHEMBL5374809 0.83 MAP2K4 (0.65) LRRK2RAB9ANPC1MAP2K4FLT3
SCHEMBL5537714 0.82 ITK (0.65) ITKLRRK2RAB9ANPC1FLT3
SCHEMBL8251896 0.80 CSNK1D (0.56) ITKLRRK2MAP2K4MEN1KMT2A
SCHEMBL2861089 0.79 ROCK2 (0.54) ITKLRRK2RAB9ANPC1ROCK1
SCHEMBL5383348 0.78 MAP3K5 (0.56) ITKLRRK2RAB9ANPC1ROCK1

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 ITK 1780/4885LRRK2 231/4885RAB9A 1630/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ITK 813/4885LRRK2 348/4885RAB9A 2266/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT ITK 1770/4885LRRK2 1898/4885RAB9A 3346/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ITK 820/4885LRRK2 308/4885RAB9A 2494/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ITK 813/4885LRRK2 348/4885RAB9A 2266/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R ITK 54/4885LRRK2 280/4885RAB9A 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.