SCHEMBL633396

SCHEMBL633396

Fc1cc(CN2CCOCC2)c(F)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 8/20 0.54
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL20247263 0.82 CYP2A13 (0.47) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL632552 0.80 CYP2A13 (0.56) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL20247304 0.80 CTSB (0.48) CYP2A13CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL1930020 0.79 CYP2A13 (0.61) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL1117900 0.79 CYP2A13 (0.61) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL26656813 0.78 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL19211650 0.76 ACHE (0.41) KDM4ESMN1; SMN2HRH3MEN1ALDH1A1
SCHEMBL1344042 0.75 CYP2A13 (0.61) CYP2A13CYP2C9ALOX15HSD17B10CYP3A4
SCHEMBL538318 0.75 HTT (0.58) CYP2A13KDM4ESMN1; SMN2HTTHRH3
SCHEMBL2376586 0.75 KDM4E (0.68) CYP2A13KDM4ESMN1; SMN2HTTHRH3

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 CYP2A13 2322/4885CYP2C9 3486/4885ALOX15 4575/4885
US-20100267723-A1 Imidazole Substituted Pyrimidines GSK3B, GSK3A, STK3 CYP2A13 2087/4885CYP2C9 2633/4885ALOX15 4707/4885

“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.