SCHEMBL18503745

SCHEMBL18503745

CC[C@]12O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C(OC13CC3)[C@H]2OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ P2RY12 Q9H244 6/20 0.46
▸ TSHR P16473 1/20 0.43
▸ ADORA2B P29275 2/20 0.42

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
SCHEMBL18708181 1.00 ADORA2A (0.47) ADORA2AADORA3ADORA1P2RY12TSHR
SCHEMBL18708183 0.88 BMPR1B (0.43) ADORA1P2RY12TSHR
SCHEMBL18503744 0.88 BMPR1B (0.43) ADORA1P2RY12TSHR
SCHEMBL18513223 0.85 PRMT6 (0.40) ADORA2AADORA3ADORA1P2RY12
SCHEMBL18708182 0.83 P2RY12 (0.38) P2RY12
SCHEMBL18503746 0.83 P2RY12 (0.38) P2RY12
SCHEMBL18708184 0.83 AHCY (0.47) ADORA2AADORA3ADORA1P2RY12TSHR
SCHEMBL18503740 0.83 AHCY (0.47) ADORA2AADORA3ADORA1P2RY12TSHR
SCHEMBL18503743 0.82 ADORA1 (0.43) ADORA2AADORA3ADORA1P2RY12TSHR
SCHEMBL18513219 0.82 ADORA1 (0.43) ADORA2AADORA3ADORA1P2RY12TSHR

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-20170044528-A1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE OSAKA UNIVERSITY (JP) 2017-02-16 — — 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-20170044528-A1 CROSSLINKED NUCLEOSIDE AND NUCLEOTIDE NSUN2, NCL, NSUN3 ADORA2A 226/4885ADORA3 310/4885ADORA1 219/4885

“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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