SCHEMBL5377040

SCHEMBL5377040

O=CN(c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1)C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.38
TTK P33981 2/20 0.37
DYRK1A Q13627 3/20 0.36
WNT1 P04628 1/20 0.36
MAPK8 P45983 2/20 0.36
PIM1 P11309 6/20 0.35
CSNK1D P48730 2/20 0.35
LRRK2 Q5S007 1/20 0.35
GAK O14976 1/20 0.35
DYRK3 O43781 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
NQO2 P16083 1/20 0.35
CSNK2A2 P19784 1/20 0.35
FECH P22830 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1A1 P48729 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
SCHEMBL3947876 0.99 MAP3K5 (0.37) MAP3K5TTKDYRK1AWNT1MAPK8
SCHEMBL5385856 0.98 MAP3K5 (0.37) MAP3K5TTKDYRK1AWNT1MAPK8
SCHEMBL5388476 0.97 MAP3K5 (0.38) MAP3K5TTKDYRK1AWNT1MAPK8
SCHEMBL5394533 0.86 WNT1 (0.44) DYRK1AWNT1PIM1LRRK2MAP4K4
SCHEMBL5383009 0.84 WNT1 (0.40) DYRK1AWNT1PIM1MAP4K4GSK3B
SCHEMBL5383058 0.83 TTK (0.38) MAP3K5TTKDYRK1AWNT1MAPK8
SCHEMBL5380929 0.80 PIM1 (0.43) MAP3K5TTKDYRK1AWNT1PIM1
SCHEMBL5378103 0.80 MKNK1 (0.44) MAP3K5TTKDYRK1AMAPK8PIM1
SCHEMBL5372630 0.80 TTK (0.40) MAP3K5TTKMAPK8CSNK1DLRRK2
SCHEMBL5372930 0.79 MKNK1 (0.49) MAP3K5TTKDYRK1AMAPK8PIM1

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 MAP3K5 7/4885TTK 1198/4885DYRK1A 1188/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP3K5 6/4885TTK 476/4885DYRK1A 784/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MAP3K5 2520/4885TTK 2139/4885DYRK1A 1932/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP3K5 6/4885TTK 464/4885DYRK1A 726/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 MAP3K5 6/4885TTK 476/4885DYRK1A 784/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAP3K5 32/4885TTK 714/4885DYRK1A 426/4885

“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.