SCHEMBL6700949

SCHEMBL6700949

Nc1ncnc2ncn(COCCCl)c12

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.56
ADORA1 P30542 2/20 0.42
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
ENPP1 P22413 2/20 0.37
PIK3CD O00329 2/20 0.37
NT5E P21589 1/20 0.36
DNMT3A Q9Y6K1 1/20 0.36
NSD2 O96028 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
FGFR1 P11362 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
AHCY P23526 1/20 0.32

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
SCHEMBL6690627 0.85 ADORA2A (0.56) ADORA2AADORA1EGFRSRCKDR
SCHEMBL17369291 0.83 ADORA2A (0.57) ADORA2AADORA1EGFRSRCKDR
Hydrochloric Acid SCHEMBL29799380 0.82 ADORA2A (0.56) ADORA2AADORA1EGFRSRCKDR
Hydrochloric Acid SCHEMBL17362936 0.82 ADORA2A (0.56) ADORA2AADORA1EGFRSRCKDR
SCHEMBL6691792 0.78 NSD3 (0.52) ADORA2AADORA1NSD2NSD3PI4KA
SCHEMBL10566016 0.77 ENPP1 (0.59) ADORA2AADORA1ENPP1NT5ENSD2
SCHEMBL1665392 0.74 ADORA2A (0.71) ADORA2AADORA1EGFRSRCKDR
SCHEMBL1665301 0.73 ADORA2A (0.69) ADORA2AADORA1EGFRSRCKDR
SCHEMBL5801729 0.73 ADORA2A (1.00) ADORA2AADORA1EGFRSRCKDR
SCHEMBL6703317 0.71 PNP (0.51)

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-6825348-B2 Antiviral compounds ACADEMIA SINICA (TW) 2004-11-30 US disclosed
US-20040002475-A1 Dna genome ACADEMIA SINICA (TW) 2004-01-01 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-20040002475-A1 Dna genome DNA2, OGG1, UNG ADORA2A 122/4885ADORA1 77/4885EGFR 2221/4885

“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.