SCHEMBL13655342

SCHEMBL13655342

CN(C)CCCNCc1ccc2[nH]c(-c3n[nH]c4c3CCCC4)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
ITK Q08881 1/20 0.38
CHEK1 O14757 6/20 0.37
PIP5K1C O60331 3/20 0.36
PARP1 P09874 1/20 0.34
CDK7 P50613 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL13655325 0.87 MC4R (0.40) CHEK1PIP5K1CCDK7KDM4EMEN1
SCHEMBL13655332 0.87 PIP5K1C (0.40) CHEK1PIP5K1CCDK7KDM4EMEN1
SCHEMBL13655347 0.84 ITK (0.39) ITKCHEK1PIP5K1CPARP1CDK7
SCHEMBL13655345 0.82 CLK2 (0.42) ITKCHEK1PIP5K1CPARP1CDK7
SCHEMBL13655331 0.82 KDM4E (0.43) ITKCHEK1PIP5K1CCDK7KDM4E
SCHEMBL13655330 0.81 CLK2 (0.39) CHEK1PIP5K1CCDK7CLK2CLK3
SCHEMBL13655336 0.79 CHEK1 (0.46) CHEK1PIP5K1CPARP1CDK7KDM4E
SCHEMBL13655346 0.78 CHEK1 (0.46) CHEK1PIP5K1CCDK7CLK2CLK3
SCHEMBL27708381 0.75 ITK (0.58) ITKCHEK1CLK2CLK3DYRK1A
SCHEMBL13655343 0.74 CHEK1 (0.45) ITKCHEK1PIP5K1CPARP1CDK7

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 TERT 634/4885CCNA2 1870/4885CDK2 511/4885

“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.