SCHEMBL4298076

SCHEMBL4298076

CCOc1nc(N)c2nc(C)[nH]c2n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR7 Q9NYK1 13/20 0.35
MAT2A P31153 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA2B P29275 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 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
SCHEMBL10383664 0.85 KMT2A (0.36) MEN1CYP1A2KMT2ATLR7MAT2A
SCHEMBL1146282 0.84 PDE4B (0.34) MEN1CYP1A2KMT2ATLR7MAT2A
SCHEMBL4298064 0.73 KDM4E (0.31)
SCHEMBL19539317 0.73 ADORA2A (0.36) MEN1CYP1A2KMT2ATLR7MAT2A
Trifluoroacetic Acid SCHEMBL434419 0.73 TLR7 (0.33) TLR7
SCHEMBL20564 0.72 ADORA3 (0.38) KMT2AADORA2AADORA2BADORA3ADORA1
SCHEMBL2953678 0.72 ADORA3 (0.38) ADORA2AADORA3
SCHEMBL12157588 0.72 NCF1 (0.34) TLR7
SCHEMBL731519 0.70 TLR7 (0.41) TLR7
SCHEMBL19539296 0.70 TLR7 (0.52) TLR7

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 MEN1 2161/4885CYP1A2 353/4885KMT2A 1961/4885

“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.