SCHEMBL4085367

SCHEMBL4085367

CCOc1ccc2cc(-c3n[nH]c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.57
MAPK8 P45983 4/20 0.51
LRRK2 Q5S007 10/20 0.49
ITK Q08881 1/20 0.47
TRPA1 O75762 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL4080206 0.91 LRRK2 (0.47) TTKMAPK8LRRK2ITKTRPA1
SCHEMBL4080247 0.87 LRRK2 (0.52) TTKLRRK2ITKTRPA1SCN5A
SCHEMBL4085054 0.86 BRAF (0.48) TTKLRRK2ITK
SCHEMBL4083128 0.81 ITK (0.64) MAPK8LRRK2ITKTRPA1SCN5A
SCHEMBL4047344 0.81 CLK2 (0.55) MAPK8LRRK2
SCHEMBL4089606 0.80 CLK2 (0.57) MAPK8LRRK2
SCHEMBL4088758 0.79 ITK (0.52) LRRK2ITKTRPA1SCN5ASCN9A
SCHEMBL4084888 0.79 TTK (0.57) TTKMAPK8LRRK2CYP19A1CYP11B1
SCHEMBL5385898 0.79 LRRK2 (0.59) TTKLRRK2ITKTRPA1SCN5A
SCHEMBL5377362 0.79 LRRK2 (0.54) TTKMAPK8LRRK2ITKTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
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 TTK 401/4885MAPK8 213/4885LRRK2 553/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TTK 377/4885MAPK8 201/4885LRRK2 563/4885

“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.