SCHEMBL4080206

SCHEMBL4080206

CCCCOc1ccc2cc(-c3n[nH]c4ccc(C#N)cc34)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.47
TTK P33981 5/20 0.46
ITK Q08881 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP19A1 P11511 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
TRPA1 O75762 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK8 P45983 4/20 0.42

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
SCHEMBL4085367 0.91 TTK (0.57) LRRK2TTKITKCYP11B1CYP11B2
SCHEMBL4085054 0.88 BRAF (0.48) LRRK2TTKITK
SCHEMBL4080247 0.85 LRRK2 (0.52) LRRK2TTKITKTRPA1SCN5A
SCHEMBL4047344 0.83 CLK2 (0.55) LRRK2MAPK8
SCHEMBL4089606 0.83 CLK2 (0.57) LRRK2MAPK8
SCHEMBL5374137 0.81 LRRK2 (0.51) LRRK2TTKITKTRPA1SCN5A
SCHEMBL4089440 0.80 TTK (0.46) LRRK2TTKCYP1A2CYP2D6CYP19A1
SCHEMBL5385497 0.80 LRRK2 (0.52) LRRK2TTKITKTRPA1SCN5A
SCHEMBL4083128 0.80 ITK (0.64) LRRK2ITKCYP11B1CYP11B2TRPA1
SCHEMBL4080050 0.78 TTK (0.62) TTKMAPK8

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 LRRK2 553/4885TTK 401/4885ITK 74/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 LRRK2 563/4885TTK 377/4885ITK 77/4885

“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.