SCHEMBL29311444

SCHEMBL29311444

CCCCCC(C)n1ncc2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
PDE1A P54750 2/20 0.36
PDE1B Q01064 2/20 0.36
PDE1C Q14123 2/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 0.35
ADA P00813 1/20 0.34
IDO1 P14902 1/20 0.34
FAAH O00519 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL21311189 0.87 KDM4E (0.44) KDM4EPDE1APDE1BPDE1CCNR1
SCHEMBL24983893 0.86 KDM4E (0.43) KDM4EPDE1APDE1BPDE1CCNR1
SCHEMBL29311529 0.84 KDM4E (0.45) KDM4EPDE1APDE1BPDE1CKDM4D
SCHEMBL29760776 0.79 ADA (0.33) KDM4EADA
SCHEMBL21311151 0.78 ASAH1 (0.45) KDM4ECNR1CNR2TLR8L3MBTL1
SCHEMBL14016377 0.77 KDM4E (0.50) KDM4EPDE1APDE1BPDE1CKDM4D
SCHEMBL24012594 0.77 IRAK4 (0.34) ADA
SCHEMBL4235557 0.75 ADA (0.39) CNR1CNR2ADAIDO1FAAH
SCHEMBL21311356 0.74 L3MBTL1 (0.44) CNR1CNR2ADAL3MBTL1
SCHEMBL31129230 0.69 KDM4E (0.40) KDM4ECNR1CNR2KDM4DTLR8

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 KDM4E 3520/4885PDE1A 2898/4885PDE1B 2619/4885

“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.