SCHEMBL2900523

SCHEMBL2900523

COC(=O)COc1nc(N)c2[nH]c(Cc3ccccc3)nc2n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.48
RNASEH1 O60930 1/20 0.42
TLR7 Q9NYK1 8/20 0.41
NUDT1 P36639 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PI4KA P42356 2/20 0.37
PI4K2B Q8TCG2 2/20 0.37
PI4K2A Q9BTU6 2/20 0.37
PI4KB Q9UBF8 2/20 0.37

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
SCHEMBL5727061 0.75 DHFR (0.46)
SCHEMBL27648253 0.73 PNP (0.61) PNP
Alcohol SCHEMBL28116206 0.73 PNP (0.54) PNP
SCHEMBL28037851 0.72 PNP (0.59) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL870861 0.69 PI4KA (0.62) PNPNUDT1PI4KAPI4K2BPI4K2A
SCHEMBL10299367 0.69 TLR7 (0.56) TLR7
SCHEMBL2900522 0.68 CDK1 (0.59) NUDT1PDE4APDE4BPDE4CPDE4D
SCHEMBL2060080 0.67 PDE4A (0.53) PNPTLR7PDE4APDE4BPDE4C
SCHEMBL2060210 0.67 TLR7 (0.56) TLR7NUDT1
SCHEMBL2060194 0.66 TLR7 (0.55) TLR7NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20060052403-A1 Novel adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-09 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-20060052403-A1 Novel adenine compound and use thereof ADORA1, P2RY10, HRH4 PNP 1662/4885RNASEH1 1447/4885TLR7 265/4885

“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.