SCHEMBL5457853

SCHEMBL5457853

CC(C)COc1ccccc1-c1n[nH]c2ccc(C#N)cc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.48
LRRK2 Q5S007 12/20 0.47
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
FLT3 P36888 1/20 0.39
SYK P43405 1/20 0.39
TTK P33981 1/20 0.39
FYN P06241 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
SCHEMBL5382211 0.83 LRRK2 (0.58) ITKLRRK2FYN
SCHEMBL5377362 0.81 LRRK2 (0.54) ITKLRRK2TTK
SCHEMBL5372727 0.73 ITK (0.63) ITKLRRK2
SCHEMBL11385581 0.72 GUSB (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2859279 0.72 ITK (0.64) ITKLRRK2FLT3TTK
SCHEMBL4895080 0.72 ITK (0.54) ITKLRRK2
SCHEMBL2872558 0.68 ITK (0.53) ITKLRRK2
SCHEMBL4879865 0.68 ITK (0.48) ITKLRRK2TTK
SCHEMBL5375244 0.68 LRRK2 (0.54) ITKLRRK2PDE4APDE4BPDE4C
SCHEMBL2857828 0.68 LRRK2 (0.54) ITKLRRK2

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 6 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-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US 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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 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 (4 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-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ITK 813/4885LRRK2 348/4885PDE5A 2932/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT ITK 1770/4885LRRK2 1898/4885PDE5A 1050/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ITK 813/4885LRRK2 348/4885PDE5A 2932/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R ITK 54/4885LRRK2 280/4885PDE5A 457/4885

“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.