SCHEMBL5378103

SCHEMBL5378103

O=CN(c1ccncc1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.44
LRRK2 Q5S007 1/20 0.39
TTK P33981 4/20 0.38
PIM1 P11309 4/20 0.38
MAPK8 P45983 2/20 0.37
MAPK1 P28482 6/20 0.37
MAP2K4 P45985 2/20 0.36
MAPK3 P27361 3/20 0.35
JAK2 O60674 1/20 0.35
MAP3K5 Q99683 1/20 0.35
MAPKAPK3 Q16644 1/20 0.34
MAPK6 Q16659 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
SCHEMBL5380929 0.90 PIM1 (0.43) LRRK2TTKPIM1MAP2K4MAP3K5
SCHEMBL5376976 0.90 CSNK1D (0.41) MKNK1LRRK2TTKMAPK8MAPK1
SCHEMBL5372630 0.82 TTK (0.40) MKNK1LRRK2TTKMAPK8MAP2K4
SCHEMBL5372930 0.81 MKNK1 (0.49) MKNK1TTKPIM1MAPK8MAPK1
SCHEMBL5388476 0.81 MAP3K5 (0.38) MKNK1LRRK2TTKPIM1MAPK8
SCHEMBL5388154 0.81 MAPK8 (0.34) MKNK1LRRK2TTKPIM1MAPK8
SCHEMBL5377040 0.80 MAP3K5 (0.38) MKNK1LRRK2TTKPIM1MAPK8
SCHEMBL3947876 0.79 MAP3K5 (0.37) MKNK1LRRK2TTKPIM1MAPK8
SCHEMBL5373173 0.79 TTK (0.41) MKNK1LRRK2TTKMAPK8MAP2K4
SCHEMBL5385856 0.79 MAP3K5 (0.37) MKNK1LRRK2TTKPIM1MAPK8

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
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US claimed
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 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-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 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-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 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-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 (6 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 MKNK1 66/4885LRRK2 231/4885TTK 1198/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MKNK1 47/4885LRRK2 348/4885TTK 476/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MKNK1 2029/4885LRRK2 1898/4885TTK 2139/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MKNK1 43/4885LRRK2 308/4885TTK 464/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MKNK1 47/4885LRRK2 348/4885TTK 476/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MKNK1 65/4885LRRK2 280/4885TTK 714/4885

“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.