SCHEMBL21164944

SCHEMBL21164944

CC1OC(n2cnc3c(Cl)ncnc32)C(O)C2OC(C)(C)OC12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ADORA3 P0DMS8 2/20 0.50
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
TYMP P19971 1/20 0.46
ADK P55263 4/20 0.45
SLC29A1 Q99808 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
AHCY P23526 1/20 0.41

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
SCHEMBL14264199 0.91 PI4KA (0.54) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL14429097 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPI4KA
SCHEMBL14429196 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPI4KA
SCHEMBL6671390 0.82 ADORA3 (0.67) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL8459039 0.80 PI4KA (0.57) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL66731 0.78 PI4KA (0.77) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL91054 0.78 PI4KA (0.77) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL21882960 0.78 PI4KA (0.77) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL7735012 0.78 PI4KA (0.77) ADORA3PI4KAPI4K2BPI4K2API4KB
SCHEMBL1757060 0.78 PI4KA (0.77) ADORA3PI4KAPI4K2BPI4K2API4KB

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-10351512-B2 Method of producing organic compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-07-16 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-10351512-B2 Method of producing organic compound LPO, OR10J3, AOX1 PDE4A 3792/4885PDE4B 2996/4885PDE4C 3875/4885

“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.