SCHEMBL4084104

SCHEMBL4084104

CCOC(=N)c1ccc2[nH]nc(-c3ccc4cc(OC(C)C5CCCCN5)ccc4c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.36
MAPK8 P45983 2/20 0.36
CYP3A4 P08684 2/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 2/20 0.36
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4079542 0.81 TTK (0.43) TTKMAPK8LRRK2
SCHEMBL6023818 0.79 MAPK1 (0.41) TTKMAPK8CYP3A4AURKBINCENP
SCHEMBL6023822 0.79 MAPK1 (0.41) TTKMAPK8CYP3A4AURKBINCENP
SCHEMBL4083120 0.79 TTK (0.41) TTKMAPK8LRRK2
SCHEMBL4043448 0.78 BTK (0.45) TTKMAPK8LRRK2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4083323 0.77 BTK (0.44) TTKMAPK8LRRK2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5397824 0.77 BTK (0.44) TTKMAPK8LRRK2ALDH1A1HPGD
SCHEMBL5381367 0.77 TTK (0.49) TTKMAPK8AURKBINCENPLRRK2
SCHEMBL4165501 0.77 LRRK2 (0.35) LRRK2
SCHEMBL4083929 0.77 BTK (0.43) TTKMAPK8LRRK2ALDH1A1HPGD

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 213/4885CYP3A4 2529/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 TTK 377/4885MAPK8 201/4885CYP3A4 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.