SCHEMBL4084403

SCHEMBL4084403

CCC(Oc1ccc2cc(-c3n[nH]c4ccc(C5CCCN5C=O)cc34)ccc2c1)C1CCCN1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.33
TTK P33981 5/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK8 P45983 2/20 0.33
AURKB Q96GD4 2/20 0.32
INCENP Q9NQS7 2/20 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
SCHEMBL6023818 0.80 MAPK1 (0.41) TTKCYP3A4MAPK8AURKBINCENP
SCHEMBL6023822 0.80 MAPK1 (0.41) TTKCYP3A4MAPK8AURKBINCENP
SCHEMBL4084401 0.78 CHEK1 (0.36) LRRK2TTKMAPK8
SCHEMBL4084104 0.67 TTK (0.36) LRRK2TTKCYP3A4MAPK8AURKB
SCHEMBL4179171 0.67 CSNK1D (0.38) LRRK2MAPK8
SCHEMBL4174329 0.66 LRRK2 (0.35) LRRK2TTKCYP3A4AURKBINCENP
SCHEMBL9944048 0.66 PDPK1 (0.52)
SCHEMBL4084371 0.65 LRRK2 (0.35) LRRK2
SCHEMBL4314652 0.65 LRRK2 (0.34) LRRK2TTKCYP3A4AURKBINCENP
SCHEMBL4165501 0.64 LRRK2 (0.35) LRRK2

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 401/4885CYP3A4 2529/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 LRRK2 563/4885TTK 377/4885CYP3A4 2646/4885

“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.