SCHEMBL5378648

SCHEMBL5378648

O=C(NCCC1CCOCC1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.49
GSK3B P49841 4/20 0.47
KCNH2 Q12809 3/20 0.47
MAP3K5 Q99683 2/20 0.46
FLT3 P36888 1/20 0.46
DYRK1A Q13627 2/20 0.45
ADORA2A P29274 1/20 0.44
MAPK1 P28482 3/20 0.42
CSNK1D P48730 1/20 0.42

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
SCHEMBL5377906 0.87 LRRK2 (0.61) LRRK2GSK3BKCNH2MAP3K5DYRK1A
SCHEMBL8257270 0.86 WNT1 (0.57) LRRK2MAP3K5DYRK1A
SCHEMBL8255035 0.85 ACHE (0.54) GSK3BDYRK1A
SCHEMBL5375633 0.83 MAP3K5 (0.54) MAP3K5MAPK1CSNK1D
SCHEMBL8257261 0.82 MAP3K5 (0.65) LRRK2MAP3K5MAPK1CSNK1D
SCHEMBL8257307 0.82 MAP3K5 (0.61) LRRK2MAP3K5DYRK1AMAPK1
SCHEMBL17801052 0.81 TTK (0.53) LRRK2MAP3K5MAPK1CSNK1D
SCHEMBL5387167 0.81 MAP3K5 (0.53) LRRK2MAP3K5MAPK1CSNK1D
SCHEMBL8258671 0.81 MAPK1 (0.62) MAP3K5MAPK1CSNK1D
SCHEMBL8258727 0.81 MAP3K5 (0.57) LRRK2MAP3K5DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP claimed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO claimed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US claimed
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-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-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 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 (3 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 LRRK2 231/4885GSK3B 429/4885KCNH2 3192/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT LRRK2 1898/4885GSK3B 991/4885KCNH2 1200/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R LRRK2 280/4885GSK3B 15/4885KCNH2 3255/4885

“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.