SCHEMBL5373940

SCHEMBL5373940

O=CN(CCC1CCCCN1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 1/20 0.34
TTK P33981 5/20 0.34
MAPK8 P45983 4/20 0.34
DYRK1A Q13627 3/20 0.34
GAK O14976 1/20 0.34
DYRK3 O43781 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
NQO2 P16083 1/20 0.34
CSNK2A2 P19784 1/20 0.34
FECH P22830 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 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
SCHEMBL5372279 0.81 CSNK1D (0.34) MAPK8DYRK1AGAKDYRK3JAK2
SCHEMBL5373173 0.80 TTK (0.41) TTKMAPK8DYRK1AGAKDYRK3
Hydrochloric Acid SCHEMBL5387027 0.80 TTK (0.33) TTKMAPK8LRRK2MAPK1
SCHEMBL3947876 0.79 MAP3K5 (0.37) TTKMAPK8DYRK1AGAKDYRK3
SCHEMBL5377472 0.79 DYRK1A (0.41) MAPK8DYRK1AGAKDYRK3JAK2
SCHEMBL5385856 0.79 MAP3K5 (0.37) TTKMAPK8DYRK1AGAKDYRK3
SCHEMBL5377040 0.78 MAP3K5 (0.38) TTKMAPK8DYRK1AGAKDYRK3
SCHEMBL5388476 0.77 MAP3K5 (0.38) TTKMAPK8DYRK1ACSNK1DPIM1
SCHEMBL5372630 0.73 TTK (0.40) TTKMAPK8CSNK1DMAP3K5LRRK2
SCHEMBL5378103 0.73 MKNK1 (0.44) TTKMAPK8DYRK1AJAK2CLK2

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-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-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 (5 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 SSTR2 3454/4885TTK 1198/4885MAPK8 26/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 SSTR2 3821/4885TTK 476/4885MAPK8 25/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 SSTR2 3920/4885TTK 464/4885MAPK8 26/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 SSTR2 3821/4885TTK 476/4885MAPK8 25/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R SSTR2 2014/4885TTK 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.