SCHEMBL5801677

SCHEMBL5801677

NC(=O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.54
TTK P33981 7/20 0.51
MAPK8 P45983 1/20 0.51
MAPK1 P28482 3/20 0.48
MAPK3 P27361 2/20 0.48
MAPKAPK2 P49137 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
MAPK6 Q16659 1/20 0.46
MAPKAPK5 Q8IW41 1/20 0.46
PIM1 P11309 1/20 0.44
PARP1 P09874 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
MAP3K5 Q99683 1/20 0.43

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
SCHEMBL5783338 0.86 TTK (0.53) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5798990 0.85 MAP2K4 (0.61) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5799963 0.83 TTK (0.56) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5803542 0.81 TTK (0.68) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5800463 0.81 MAP2K4 (0.56) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5800715 0.81 MAP2K4 (0.43) MAP2K4TTKMAPK8MAPK1MAPKAPK2
SCHEMBL5377614 0.79 MAP2K4 (0.62) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5800300 0.79 TTK (0.57) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5373489 0.78 MAP2K4 (0.42) MAP2K4TTKMAPK8MAPK1MAPK3
SCHEMBL5378148 0.78 CHEK1 (0.42) TTKMAPK1MAPK3MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAP2K4 130/4885TTK 1198/4885MAPK8 26/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MAP2K4 3021/4885TTK 2139/4885MAPK8 3017/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAP2K4 385/4885TTK 714/4885MAPK8 91/4885

“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.