SCHEMBL5380485

SCHEMBL5380485

Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CC5CC5)n4)cc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.53
ADORA2A P29274 2/20 0.43
TRPA1 O75762 3/20 0.42
AOC3 Q16853 2/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K4 P45985 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPKAPK3 Q16644 1/20 0.41
MAPK6 Q16659 1/20 0.41
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PIM1 P11309 4/20 0.38
PIM3 Q86V86 4/20 0.38
PIM2 Q9P1W9 4/20 0.38
NTRK1 P04629 1/20 0.36
CDC7 O00311 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL5378091 0.90 CSNK1D (0.51) CSNK1DADORA2AAOC3MAPK1MAP2K4
SCHEMBL5387177 0.88 CSNK1D (0.67) CSNK1DADORA2ATRPA1AOC3MAPK1
SCHEMBL5387116 0.87 CSNK1D (0.54) CSNK1DADORA2AMAP2K4WNT1DYRK1A
SCHEMBL5378119 0.85 CSNK1D (0.54) CSNK1DADORA2AAOC3MAPK1CNR1
SCHEMBL5381667 0.84 CSNK1D (0.68) CSNK1DADORA2AAOC3MAPK1MAP2K4
SCHEMBL5387284 0.84 CSNK1D (0.68) CSNK1DADORA2AAOC3MAPK1MAP2K4
SCHEMBL5378626 0.83 CSNK1D (0.48) CSNK1DADORA2AAOC3MAPK1MAP2K4
SCHEMBL5378629 0.82 CSNK1D (0.46) CSNK1DADORA2AAOC3MAPK1MAP2K4
SCHEMBL5378212 0.82 PDPK1 (0.52) CSNK1DADORA2ATRPA1MAPK1MAP2K4
SCHEMBL5378295 0.82 CSNK1D (0.51) CSNK1DADORA2ATRPA1MAPK1MAP2K4

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 CSNK1D 349/4885ADORA2A 2524/4885TRPA1 1948/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT CSNK1D 1173/4885ADORA2A 1854/4885TRPA1 3601/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R CSNK1D 410/4885ADORA2A 2097/4885TRPA1 390/4885

“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.