SCHEMBL5378080

SCHEMBL5378080

COc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
LRRK2 Q5S007 7/20 0.46
CSNK1D P48730 1/20 0.45
NTRK1 P04629 1/20 0.43
GSK3B P49841 2/20 0.43
MAPK1 P28482 2/20 0.41
AOC3 Q16853 2/20 0.39
LOXL2 Q9Y4K0 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
SCHEMBL5388496 0.85 ADORA2A (0.58) ADORA2ALRRK2CSNK1DGSK3BAOC3
SCHEMBL5373387 0.84 NTRK1 (0.44) LRRK2CSNK1DNTRK1GSK3BMAPK1
SCHEMBL8435451 0.84 CSNK1D (0.47) ADORA2ALRRK2CSNK1DNTRK1MAPK1
SCHEMBL5398587 0.81 MAP2K4 (0.51) ADORA2ALRRK2CSNK1DNTRK1GSK3B
SCHEMBL5378119 0.80 CSNK1D (0.54) ADORA2ALRRK2CSNK1DNTRK1MAPK1
SCHEMBL5387177 0.79 CSNK1D (0.67) ADORA2ACSNK1DNTRK1MAPK1AOC3
SCHEMBL5378626 0.78 CSNK1D (0.48) ADORA2ALRRK2CSNK1DNTRK1MAPK1
SCHEMBL5387116 0.78 CSNK1D (0.54) ADORA2ACSNK1DNTRK1GSK3B
SCHEMBL5378629 0.78 CSNK1D (0.46) ADORA2ACSNK1DNTRK1GSK3BMAPK1
SCHEMBL5380485 0.78 CSNK1D (0.53) ADORA2ACSNK1DNTRK1MAPK1AOC3

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 10 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
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 ADORA2A 2524/4885LRRK2 231/4885CSNK1D 349/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT ADORA2A 1854/4885LRRK2 1898/4885CSNK1D 1173/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R ADORA2A 2097/4885LRRK2 280/4885CSNK1D 410/4885

“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.