SCHEMBL4913595

SCHEMBL4913595

FC(F)(F)c1ccccc1-c1nc2c(I)ccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
PTGES O14684 1/20 0.46
CYP1A2 P05177 9/20 0.44
CYP3A4 P08684 7/20 0.44
CYP2C19 P33261 7/20 0.44
ALDH1A1 P00352 4/20 0.44
NPY5R Q15761 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 4/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
KMO O15229 1/20 0.40
CYP2D6 P10635 5/20 0.40
CYP2C9 P11712 3/20 0.40

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
SCHEMBL4908450 0.85 PARP1 (0.45) PARP1PTGESCYP1A2CYP3A4CYP2C19
SCHEMBL10736330 0.78 METAP2 (0.53) PARP1PTGESCYP1A2CYP3A4CYP2C19
SCHEMBL13256385 0.75 PARP1 (0.47) PARP1HDAC3HDAC7HDAC10HDAC6
SCHEMBL14022279 0.74 MAPK13 (0.42) PARP1NPY5R
SCHEMBL13256164 0.73 GSK3A (0.47) PARP1PTGESALDH1A1NPY5RHDAC3
SCHEMBL13257074 0.73 SGMS2 (0.52) PARP1PTGESALDH1A1NPY5RTSHR
SCHEMBL13256162 0.72 CYP1A2 (0.46) PARP1CYP1A2ALDH1A1LMNA
SCHEMBL13223448 0.71 PTGES (0.47) PARP1PTGESCYP1A2CYP3A4CYP2C19
SCHEMBL14022283 0.71 CYP1A2 (0.45) PARP1PTGESCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4909746 0.70 CYP1A2 (0.44) PARP1PTGESCYP1A2CYP3A4CYP2C19

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 1 patent. 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 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 PARP1 1353/4885PTGES 2826/4885CYP1A2 2048/4885

“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.