SCHEMBL3748867

SCHEMBL3748867

Nc1ccc(-n2ccnc2CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KCNH2 Q12809 1/20 0.37
ACHE P22303 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL22310226 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8429953 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL27450288 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL9380384 0.82 KCNH2 (0.52) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4314558 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10899859 0.79 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMKNK1
SCHEMBL243235 0.79 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL22309076 0.78 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5395497 0.78 F10 (0.43) MKNK1MKNK2MAPTLMNAF2
SCHEMBL5382886 0.78 FGFR1 (0.38) PDE4APDE4BPDE4CPDE4DMKNK1

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
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 US disclosed
US-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies ASTRAZENECA AB (SE) 2010-11-18 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-20100292210-A1 Novel Compounds for A-Beta-Related Pathologies BACE1, APP, BACE2 PDE4A 1082/4885PDE4B 963/4885PDE4C 1822/4885

“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.