SCHEMBL4084401

SCHEMBL4084401

CCN1CCCC1COc1ccc2cc(-c3n[nH]c4ccc(C5CCCN5C=O)cc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TTK P33981 5/20 0.35
MAPK8 P45983 4/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
FAAH O00519 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR7 Q9NYK1 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
LRRK2 Q5S007 2/20 0.33

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
SCHEMBL4090271 0.81 TTK (0.41) TTKMAPK8
SCHEMBL4090306 0.81 TTK (0.41) TTKMAPK8
SCHEMBL4079849 0.79 HRH3 (0.43) KDM4ETTKMAPK8
SCHEMBL4079848 0.79 HRH3 (0.43) KDM4ETTKMAPK8
SCHEMBL4169025 0.79 MCHR1 (0.44) KDM4E
SCHEMBL4084403 0.78 LRRK2 (0.33) TTKMAPK8LRRK2
SCHEMBL4183566 0.78 JAK2 (0.41)
SCHEMBL4183563 0.78 JAK2 (0.41)
SCHEMBL5819665 0.77 CHEK1 (0.38) CHEK1KDM4ETTKMAPK8CHRNB1
SCHEMBL4083943 0.77 CHEK1 (0.38) CHEK1KDM4ETTKMAPK8CHRNB1

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 CHEK1 322/4885KDM4E 3468/4885TTK 401/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CHEK1 321/4885KDM4E 3359/4885TTK 377/4885

“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.