SCHEMBL4521301

SCHEMBL4521301

Brc1cccc(C#Cc2ccc3c(c2)CCCO3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.40
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CTNNB1 P35222 6/20 0.39
WNT3A P56704 6/20 0.39
GRM5 P41594 3/20 0.39
NOTUM Q6P988 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
PRKCI P41743 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4527924 0.91 ACACB (0.47) ACACBDYRK1ADYRK1BGRM5MAPT
SCHEMBL4782387 0.80 MAPT (0.51) ACACBGRM5MAPTLMNAHTT
SCHEMBL4737265 0.79 CTNNB1 (0.39) ACACBCLK1DYRK1ADYRK1BCTNNB1
SCHEMBL4517848 0.79 GRM5 (0.46) GRM5MAPTMEN1KMT2A
SCHEMBL4526979 0.79 GRM5 (0.43) GRM5MAPTMEN1KMT2ATDP1
SCHEMBL4854354 0.78 LMNA (0.50) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL8185847 0.78 NOTUM (0.47) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL4737647 0.75 ACACB (0.42) ACACBCLK1DYRK1ADYRK1BCTNNB1
SCHEMBL4849472 0.73 DYRK1A (0.43) ACACBCLK1DYRK1ADYRK1BCTNNB1
SCHEMBL4734542 0.73 DYRK1A (0.43) ACACBCLK1DYRK1ADYRK1BCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US claimed
CN-101360715-A Novel 2-amino-imidazole-4-one compounds and their use in the manufacture of a medicament to be used in the treatment of cognitive impairment, alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-02-04 CN claimed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US claimed
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US disclosed
CN-101360715-A Novel 2-amino-imidazole-4-one compounds and their use in the manufacture of a medicament to be used in the treatment of cognitive impairment, alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-02-04 CN disclosed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1979324-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-10-15 EP disclosed
WO-2008076044-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008076043-A1 NOVEL 2-AMINO-5,5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO 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 (2 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-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ACACB 1763/4885CLK1 1340/4885DYRK1A 1253/4885
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ACACB 1763/4885CLK1 1340/4885DYRK1A 1253/4885

“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.