SCHEMBL13655340

SCHEMBL13655340

NC1CCC(NCc2ccc3[nH]c(-c4n[nH]c5c4CC(c4cccnc4)CC5)cc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.39
PIP5K1C O60331 4/20 0.36
ITK Q08881 4/20 0.36
DYRK1A Q13627 4/20 0.35
CLK2 P49760 3/20 0.35
CLK3 P49761 3/20 0.35
WNT1 P04628 1/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
PARP1 P09874 1/20 0.32

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 0.86 CLK2 (0.36) VCPPIP5K1CITKDYRK1ACLK2
SCHEMBL13655335 0.82 PIP5K1C (0.44) PIP5K1CITKPARP1
SCHEMBL13655344 0.80 CHEK1 (0.37) PIP5K1CITKDYRK1ACLK2CLK3
SCHEMBL13655339 0.79 CHEK1 (0.49) DYRK1ACLK2CLK3
SCHEMBL13655343 0.70 CHEK1 (0.45) VCPPIP5K1CITKPARP1
SCHEMBL4165710 0.69 CHEK1 (0.61) VCPPIP5K1CITK
SCHEMBL27688758 0.68 CHEK1 (0.46) ITK
SCHEMBL5054104 0.66 CHEK1 (0.62) ITK
SCHEMBL13655330 0.66 CLK2 (0.39) PIP5K1CDYRK1ACLK2CLK3
SCHEMBL27688756 0.66 CHEK1 (0.46) ITK

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 VCP 3106/4885PIP5K1C 1995/4885ITK 1958/4885

“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.