SCHEMBL633549

SCHEMBL633549

C[C@@H]1COCCN1Cc1ccc(Br)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
GRM2 Q14416 3/20 0.46
SIRT6 Q8N6T7 1/20 0.44
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.39
PDE1B Q01064 1/20 0.38
PIK3CA P42336 4/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
MAOB P27338 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MTOR P42345 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CB P42338 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
SCHEMBL632416 1.00 LTA4H (0.47) LTA4HGRM2SIRT6CNR2HTT
SCHEMBL632417 1.00 LTA4H (0.47) LTA4HGRM2SIRT6CNR2HTT
SCHEMBL7863409 0.84 GRM2 (0.48) LTA4HGRM2SIRT6CNR2PDE1B
SCHEMBL633737 0.81 GRM2 (0.37) GRM2SIRT6HTTKDM4EALDH1A1
SCHEMBL8805178 0.80 LTA4H (0.56) LTA4HGRM2CNR2PDE1BPIK3CA
SCHEMBL30508309 0.80 LTA4H (0.56) LTA4HGRM2CNR2PDE1BPIK3CA
SCHEMBL632787 0.80 SIRT6 (0.47) LTA4HGRM2SIRT6CNR2PIK3CA
SCHEMBL632786 0.80 SIRT6 (0.47) LTA4HGRM2SIRT6CNR2PIK3CA
SCHEMBL16143093 0.78 LTA4H (0.49) LTA4HGRM2CNR2SMN1; SMN2
SCHEMBL15260255 0.76 LTA4H (0.45) LTA4HGRM2SIRT6CNR2PDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459252-A Imidazole-substituted pyrimidines for the treatment of glycogen synthase kinase 3 related diseases such as alzheimer's disease ASTRAZENECA AB 2012-05-16 CN disclosed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-8178529-B2 Imidazole substituted pyrimidines ASTRAZENECA AB (SE) 2012-05-15 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
US-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease ASTRAZENECA AB (SE) 2012-03-29 US disclosed
EP-2419425-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE AstraZeneca AB (SE) 2012-02-22 EP disclosed
WO-2010120237-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-10-21 WO disclosed
WO-2010120237-A1 IMIDAZOLE SUBSTITUTED PYRIMIDINES USEFUL IN THE TREATMENT OF GLYCOGEN SYNTHASE KINASE 3 RELATED DISORDERS SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-10-21 WO disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 US disclosed
US-20100267723-A1 Imidazole Substituted Pyrimidines ASTRAZENECA AB (SE) 2010-10-21 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 (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-20120077813-A1 Imidazole Substituted Pyrimidines Useful in the Treatment of Glycogen Synthase Kinase-3 Related Disorders such as Alzheimer's Disease GSK3A, GSK3B, PYGB LTA4H 4384/4885GRM2 687/4885SIRT6 654/4885
US-20100267723-A1 Imidazole Substituted Pyrimidines GSK3B, GSK3A, STK3 LTA4H 4574/4885GRM2 762/4885SIRT6 417/4885

“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.