SCHEMBL20724560

SCHEMBL20724560

CC[C@]1(CO)O[C@@H](n2cnc3c(NC)nc(C)nc32)[C@H](F)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.44
▸ ADORA1 P30542 10/20 0.44
▸ ADORA2B P29275 4/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ P2RY1 P47900 2/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ NT5E P21589 2/20 0.39
▸ AHCY P23526 2/20 0.39

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
SCHEMBL20724577 0.91 ADORA3 (0.43) ADORA3ADORA1ADORA2BADORA2AHTR2A
SCHEMBL19766025 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2AHTR2A
SCHEMBL20724611 0.86 ADORA3 (0.45) ADORA3ADORA1ADORA2BADORA2AHTR2A
SCHEMBL15964775 0.86 ADORA2A (0.45) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL19766059 0.83 CDK5 (0.41) ADORA3ADORA1ADORA2BADORA2AHTR2A
SCHEMBL20724416 0.81 P2RY1 (0.39) ADORA3ADORA1ADORA2BADORA2AHTR2A
SCHEMBL20724615 0.81 P2RY1 (0.39) ADORA3ADORA1ADORA2BADORA2AHTR2A
SCHEMBL19766034 0.81 ADORA3 (0.43) ADORA3ADORA1ADORA2BADORA2AHTR2A
SCHEMBL19766083 0.81 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL19766026 0.81 ADORA3 (0.43) ADORA3ADORA1ADORA2BADORA2AHTR2A

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-10202412-B2 β-D-2′-deoxy-2′-substituted-4′-substituted-2-substituted-N6-substituted-6-aminopurinenucleotides for the treatment of paramyxovirus and orthomyxovirus infections Atea Pharmaceuticals, Inc. (US) 2019-02-12 — — 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-10202412-B2 β-D-2′-deoxy-2′-substituted-4′-substituted-2-substituted-N6-substituted-6-aminopurinenucleotides for the treatment of paramyxovirus and orthomyxovirus infections MTAP, NSUN2, PNP ADORA3 89/4885ADORA1 106/4885ADORA2B 78/4885

“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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