SCHEMBL3428332

SCHEMBL3428332

OCCCN1CCOC(CO)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.46
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DRD4 P21917 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD3 P35462 3/20 0.33
HDAC6 Q9UBN7 1/20 0.32
DRD2 P14416 1/20 0.32
PKM P14618 1/20 0.32
EPHA2 P29317 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE5A O76074 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GBA1 P04062 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
SCHEMBL3424587 1.00 PDK1 (0.46) PDK1KDM4EALDH1A1DRD4HRH3
SCHEMBL9801025 0.86 DRD3 (0.40) PDK1KDM4EALDH1A1DRD4DRD3
SCHEMBL3424584 0.86 PDK1 (0.44) PDK1DRD4HRH3DRD3HDAC6
SCHEMBL3428329 0.86 PDK1 (0.44) PDK1DRD4HRH3DRD3HDAC6
SCHEMBL7324183 0.84 GBA1 (0.43) PDK1DRD4DRD3DRD2GBA1
SCHEMBL18293014 0.82 PDK1 (0.41) PDK1ALDH1A1HRH3DRD3HDAC6
SCHEMBL23328919 0.81 DRD3 (0.49) PDK1DRD3GBA1
SCHEMBL29048494 0.81 PDK1 (0.46) PDK1DRD4HRH3DRD3DRD2
SCHEMBL11728372 0.79 KDM4E (0.35) KDM4EALDH1A1DRD3GBA1
SCHEMBL22879240 0.79 PDK1 (0.44) PDK1DRD4HRH3DRD3PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 US disclosed
EP-1613619-A1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER AstraZeneca AB (SE) 2006-01-11 EP disclosed
WO-2004094410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-04 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 PDK1 616/4885KDM4E 3366/4885ALDH1A1 402/4885

“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.