SCHEMBL3930723

SCHEMBL3930723

NC(c1ccncc1)c1ccc(F)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.41
DPP8 Q6V1X1 1/20 0.39
CYP19A1 P11511 1/20 0.36
PARP1 P09874 2/20 0.34
CYP17A1 P05093 1/20 0.33
AKT1 P31749 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
RPS6KB1 P23443 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
SCHEMBL17064481 0.81 DPP4 (0.42) DPP4DPP8CYP19A1CYP17A1AKR1C3
SCHEMBL29825564 0.81 DPP4 (0.42) DPP4DPP8CYP19A1CYP17A1AKR1C3
SCHEMBL8222467 0.76 PARP1 (0.34) DPP4DPP8CYP19A1PARP1CYP17A1
SCHEMBL27503629 0.74 SLC6A2 (0.48) DPP4CYP19A1CYP17A1
SCHEMBL2910991 0.72 CYP17A1 (0.48) DPP4DPP8CYP17A1POLB
SCHEMBL3929152 0.72 PARP1 (0.35) DPP4CYP19A1PARP1CYP17A1AKR1C3
SCHEMBL7563537 0.72 ADRB2 (0.45) DPP4PARP1AKT1
SCHEMBL3932366 0.71 IDO1 (0.42) DPP4
SCHEMBL3051353 0.71 CYP19A1 (0.68) CYP19A1AKT1S1PR1S1PR3
SCHEMBL14077920 0.70 PARP1 (0.32) PARP1CYP17A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506212-A Amino-imidazolones and their use as medicaments for the treatment of cognitive impairment, Alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
CN-101506213-A Amino-imidazolones and their use as medicaments for the treatment of cognitive impairment, Alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
CN-101501041-A Amino-imidazolones and their use as medicaments for the treatment of cognitive impairment, Alzheimer's disease, neurodegeneration and dementia ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044072-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA AstraZeneca AB (SE) 2009-04-08 EP disclosed
EP-2035425-A1 AMINO- IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA. AstraZeneca AB (SE) 2009-03-18 EP disclosed
EP-2035424-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA. AstraZeneca AB (SE) 2009-03-18 EP disclosed
WO-2007145569-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145570-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145570-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
WO-2007145569-A9 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2008-12-11 WO disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080058349-A1 New Compounds 318 ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
WO-2007145571-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145571-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145570-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145570-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
WO-2007145569-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 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-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT DPP4 1845/4885DPP8 2742/4885CYP19A1 4013/4885
US-20080058349-A1 New Compounds 318 PSEN2, PSEN1, MAPT DPP4 1983/4885DPP8 1765/4885CYP19A1 4093/4885

“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.