SCHEMBL4174329

SCHEMBL4174329

CC(C)Cc1n[nH]c(-c2ccc3[nH]nc(-c4ccc5cc(OC(C)C6CCCN6)ccc5c4)c3c2)n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.35
CYP3A4 P08684 1/20 0.33
TTK P33981 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
MAP3K8 P41279 1/20 0.32
KDR P35968 1/20 0.32
ETV6 P41212 1/20 0.32

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
SCHEMBL4314652 0.90 LRRK2 (0.34) LRRK2CYP3A4TTKAURKBINCENP
SCHEMBL4179171 0.89 CSNK1D (0.38) LRRK2
SCHEMBL4084371 0.86 LRRK2 (0.35) LRRK2KDRETV6
SCHEMBL4165501 0.79 LRRK2 (0.35) LRRK2KDR
SCHEMBL4169058 0.79 TTK (0.35) LRRK2CYP3A4TTKAURKBINCENP
SCHEMBL4093982 0.77 CHRNB4 (0.45)
SCHEMBL4174320 0.77 CHRNB4 (0.45)
SCHEMBL4174324 0.77 CHRNB4 (0.45)
SCHEMBL4084164 0.77 CLK2 (0.42) LRRK2
SCHEMBL4179138 0.77 CLK2 (0.43) LRRK2TTK

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 LRRK2 553/4885CYP3A4 2529/4885TTK 401/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 LRRK2 563/4885CYP3A4 2646/4885TTK 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.