SCHEMBL5375633

SCHEMBL5375633

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 2/20 0.54
TTK P33981 6/20 0.51
MAPK8 P45983 3/20 0.51
CSNK1D P48730 2/20 0.49
MAPK1 P28482 5/20 0.48
MAP2K4 P45985 1/20 0.46
MAPK3 P27361 1/20 0.46
ERN1 O75460 1/20 0.44
PRKD1 Q15139 1/20 0.44
MAPK10 P53779 1/20 0.43
MAPK14 Q16539 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL17801052 0.92 TTK (0.53) MAP3K5TTKMAPK8CSNK1DMAPK1
SCHEMBL8257261 0.91 MAP3K5 (0.65) MAP3K5TTKMAPK8CSNK1DMAPK1
SCHEMBL8258671 0.88 MAPK1 (0.62) MAP3K5TTKCSNK1DMAPK1MAP2K4
SCHEMBL5378166 0.87 MAPK1 (0.66) MAP3K5TTKMAPK8CSNK1DMAPK1
SCHEMBL5378125 0.87 CSNK1D (0.56) MAP3K5TTKMAPK8CSNK1DMAPK1
SCHEMBL5380115 0.86 MAPK1 (0.56) MAP3K5TTKMAPK8CSNK1DMAPK1
SCHEMBL8437375 0.85 MAPK1 (0.57) MAP3K5TTKMAPK8CSNK1DMAPK1
SCHEMBL8252515 0.85 DYRK1A (0.56) MAP3K5MAPK8CSNK1DERN1MAPK10
SCHEMBL8258720 0.85 LRRK2 (0.52) MAP3K5TTKMAPK8CSNK1DMAPK1
SCHEMBL5387167 0.84 MAP3K5 (0.53) MAP3K5TTKMAPK8CSNK1DMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO 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 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
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO 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-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 MAP3K5 7/4885TTK 1198/4885MAPK8 26/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT MAP3K5 2520/4885TTK 2139/4885MAPK8 3017/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R MAP3K5 32/4885TTK 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.