SCHEMBL13655347

SCHEMBL13655347

CN(C)CCCN(C)Cc1ccc2[nH]c(-c3n[nH]c4c3CCCC4)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.39
PARP1 P09874 4/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIP5K1C O60331 1/20 0.35
CHEK1 O14757 10/20 0.35
CDK7 P50613 7/20 0.35
MAPT P10636 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
SCHEMBL13655345 0.88 CLK2 (0.42) ITKPARP1CLK2CLK3DYRK1A
SCHEMBL13655342 0.84 TERT (0.41) ITKPARP1CLK2CLK3DYRK1A
SCHEMBL13655348 0.79 PIP5K1C (0.40) ITKPARP1PIP5K1CCHEK1CDK7
SCHEMBL13655325 0.74 MC4R (0.40) PIP5K1CCHEK1CDK7MAPTHPGD
SCHEMBL13655332 0.72 PIP5K1C (0.40) PIP5K1CCHEK1CDK7MAPTHPGD
SCHEMBL13655330 0.72 CLK2 (0.39) CLK2CLK3DYRK1APIP5K1CCHEK1
SCHEMBL13655343 0.72 CHEK1 (0.45) ITKPARP1PIP5K1CCHEK1CDK7
SCHEMBL13655326 0.71 CHEK1 (0.60) CHEK1CDK7
SCHEMBL13655346 0.70 CHEK1 (0.46) CLK2CLK3DYRK1APIP5K1CCHEK1
SCHEMBL13655331 0.70 KDM4E (0.43) ITKPIP5K1CCHEK1CDK7MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2009-10-01 US disclosed
US-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2009-10-01 US 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 (1 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-20090247504-A1 Indazole Derivatives for Treatment of Alzheimer's Disease MAPT, PSEN2, PSEN1 ITK 1958/4885PARP1 2590/4885CLK2 685/4885

“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.