SCHEMBL4176018

SCHEMBL4176018

CC(C)(C)Cc1n[nH]c(-c2ccc3[nH]nc(-c4ccc5cc(C(=O)O)ccc5c4)c3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 10/20 0.47
MAPK1 P28482 6/20 0.47
MAPK6 Q16659 6/20 0.47
MAPKAPK3 Q16644 4/20 0.47
MAPKAPK5 Q8IW41 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
ITK Q08881 1/20 0.39
RARB P10826 2/20 0.38
RARG P13631 2/20 0.38
BTK Q06187 1/20 0.38
JAK2 O60674 1/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
RARA P10276 1/20 0.36
MAP3K5 Q99683 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
TTK P33981 1/20 0.36

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
SCHEMBL4093716 0.83 NTRK1 (0.38) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL4541190 0.82 WNT1 (0.46) DYRK1A
SCHEMBL5817740 0.82 CSNK1D (0.46) MAP2K4MAPK1MAPK6MAPKAPK3JAK2
SCHEMBL17801092 0.80 MAP2K4 (0.54) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL4175023 0.76 MAPK8 (0.35) JAK2CLK2CLK3DYRK1ATTK
SCHEMBL4079772 0.75 ACHE (0.40) JAK2CLK2DYRK1ATTKMAPK8
SCHEMBL2855850 0.74 MAP2K4 (0.59) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK5
SCHEMBL4084727 0.74 TTK (0.39) MAPK1MAPKAPK2JAK2CLK2CLK3
SCHEMBL4256190 0.74 TTK (0.37) JAK2CLK2DYRK1ATTKMAPK8
SCHEMBL4314652 0.74 LRRK2 (0.34) CLK2CLK3DYRK1ATTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 MAP2K4 358/4885MAPK1 171/4885MAPK6 366/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 MAP2K4 357/4885MAPK1 166/4885MAPK6 374/4885

“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.