SCHEMBL13655338

SCHEMBL13655338

NCCNCc1ccc2[nH]c(-c3n[nH]c4c3CC(c3cccnc3)CC4)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 7/20 0.36
CLK3 P49761 7/20 0.36
DYRK1A Q13627 7/20 0.36
PIP5K1C O60331 4/20 0.34
CHEK1 O14757 2/20 0.34
ITK Q08881 3/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
VCP P55072 1/20 0.32
NOS1 P29475 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL13655344 0.88 CHEK1 (0.37) CLK2CLK3DYRK1APIP5K1CCHEK1
SCHEMBL13655340 0.86 VCP (0.39) CLK2CLK3DYRK1APIP5K1CITK
SCHEMBL13655339 0.80 CHEK1 (0.49) CLK2CLK3DYRK1ACHEK1
SCHEMBL13655325 0.80 MC4R (0.40) PIP5K1CCHEK1MC4RMC5R
SCHEMBL13655332 0.72 PIP5K1C (0.40) PIP5K1CCHEK1
SCHEMBL13655330 0.70 CLK2 (0.39) CLK2CLK3DYRK1APIP5K1CCHEK1
SCHEMBL13655342 0.69 TERT (0.41) CLK2CLK3DYRK1APIP5K1CCHEK1
SCHEMBL13655331 0.66 KDM4E (0.43) PIP5K1CCHEK1ITK
SCHEMBL13655335 0.66 PIP5K1C (0.44) PIP5K1CCHEK1ITK
SCHEMBL13655336 0.65 CHEK1 (0.46) PIP5K1CCHEK1

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 CLK2 685/4885CLK3 1342/4885DYRK1A 1225/4885

“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.