SCHEMBL13655344

SCHEMBL13655344

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
VSIR Q9H7M9 4/20 0.36
PIP5K1C O60331 5/20 0.36
ITK Q08881 2/20 0.35
CLK2 P49760 4/20 0.35
CLK3 P49761 4/20 0.35
DYRK1A Q13627 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
LTA4H P09960 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13655338 0.88 CLK2 (0.36) CHEK1PIP5K1CITKCLK2CLK3
SCHEMBL13655331 0.82 KDM4E (0.43) CHEK1VSIRPIP5K1CITKKDM4E
SCHEMBL13655340 0.80 VCP (0.39) PIP5K1CITKCLK2CLK3DYRK1A
SCHEMBL13655339 0.76 CHEK1 (0.49) CHEK1CLK2CLK3DYRK1A
SCHEMBL13655332 0.71 PIP5K1C (0.40) CHEK1PIP5K1CKDM4EALDH1A1MAPT
SCHEMBL13655325 0.67 MC4R (0.40) CHEK1VSIRPIP5K1CKDM4EALDH1A1
SCHEMBL13655330 0.67 CLK2 (0.39) CHEK1PIP5K1CCLK2CLK3DYRK1A
SCHEMBL13655342 0.66 TERT (0.41) CHEK1PIP5K1CITKCLK2CLK3
SCHEMBL13655336 0.62 CHEK1 (0.46) CHEK1PIP5K1CKDM4EALDH1A1MAPT
SCHEMBL13655346 0.62 CHEK1 (0.46) CHEK1PIP5K1CCLK2CLK3DYRK1A

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 CHEK1 1733/4885VSIR 4173/4885PIP5K1C 1995/4885

“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.