SCHEMBL18776431

SCHEMBL18776431

[2H]CC1OC(n2cnc3c(C)ncnc32)C(OC)C1OP(OCCc1ccccc1)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.34
▸ ADORA2B P29275 4/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ ADORA3 P0DMS8 5/20 0.34
▸ TSHR P16473 2/20 0.33
▸ NFKB1 P19838 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ THPO P40225 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
SCHEMBL18776430 0.87 ADORA3 (0.32) ADORA3
SCHEMBL18776429 0.86 ADORA3 (0.31) ADORA3
SCHEMBL18776422 0.86 — —
SCHEMBL18776436 0.84 ADORA3 (0.40) ADORA2AADORA2BADORA3TSHRADORA1
SCHEMBL18776462 0.83 ADORA3 (0.36) ADORA2AADORA2BADORA3
SCHEMBL18776426 0.76 ADORA3 (0.43) ADORA2BADORA3ADORA1
SCHEMBL12936608 0.76 SLC29A1 (0.37) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL16707272 0.76 SLC29A1 (0.37) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL12936601 0.76 SLC29A1 (0.37) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL18776432 0.75 ADORA3 (0.40) ADORA2AADORA2BADORA3ADORA1

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 ADORA2A 4378/4885ADORA2B 4023/4885SLC29A1 1205/4885

“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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