SCHEMBL4909545

SCHEMBL4909545

FC(F)(F)c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
THRB P10828 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
STAT6 P42226 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SCN2A Q99250 2/20 0.49

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
SCHEMBL3689828 0.85 KDM4E (0.53) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL4909757 0.84 CCNB2 (0.43) SCN2APARP1NPY5RCXCR2MAPK14
SCHEMBL3691961 0.81 PIN1 (0.56) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL2128318 0.80 KDM4E (0.53) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL10735454 0.79 KDM4E (0.65) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL15756742 0.78 KDM4E (0.54) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL8738492 0.75 CYP1A2 (0.68) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL20765227 0.75 SCN2A (0.50) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL30380759 0.75 SCN2A (0.50) KDM4EMEN1NPC1ALDH1A1CYP1A2
SCHEMBL4909734 0.75 NR1H2 (0.48) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US claimed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
US-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1934217-A1 NEW COMPOUNDS II Astra Zeneca AB (SE) 2008-06-25 EP disclosed
WO-2007040439-A1 NEW COMPOUNDS II ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007040439-A1 NEW COMPOUNDS II ASTRAZENECA AB (SE) 2007-04-12 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 (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-20080255106-A1 Novel 2-Phenyl-Imidazo[4,5-B]Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase for the Treatment of Dementia and Neurodegenerative Disorders GSK3B, PYGB, GSK3A KDM4E 793/4885MEN1 3519/4885NPC1 1758/4885

“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.