SCHEMBL18776428

SCHEMBL18776428

[2H]CC1OC(n2cnc3c(C)ncnc32)C(OC)C1OP(OCCCC)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.32
▸ EHMT1 Q9H9B1 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL18776430 0.90 ADORA3 (0.32) ADORA3MEN1KMT2ADOT1L
SCHEMBL18776429 0.89 ADORA3 (0.31) ADORA3MEN1KMT2ADOT1L
SCHEMBL18776431 0.88 ADORA2A (0.34) ADORA3SLC29A1RXFP1
SCHEMBL18776462 0.85 ADORA3 (0.36) AHCYADORA3MEN1KMT2ADOT1L
SCHEMBL18776426 0.81 ADORA3 (0.43) ADORA3
SCHEMBL18776422 0.81 — —
SCHEMBL12022990 0.76 MARS1 (0.34) AHCYADORA3MEN1KMT2ADOT1L
SCHEMBL12022986 0.74 MARS1 (0.34) ADORA3MEN1KMT2ADOT1L
SCHEMBL12022998 0.73 MARS1 (0.33) ADORA3MEN1KMT2ADOT1L
SCHEMBL18776436 0.73 ADORA3 (0.40) ADORA3

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-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 — — 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-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 AHCY 1175/4885ADORA3 3873/4885EHMT1 4358/4885

“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.

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