SCHEMBL15964775

SCHEMBL15964775

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ PDE2A O00408 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ DNMT1 P26358 1/20 0.42
▸ DNMT3B Q9UBC3 1/20 0.42
▸ ADORA2B P29275 5/20 0.42
▸ RNASEL Q05823 1/20 0.41

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
SCHEMBL16573481 0.91 HSP90B1 (0.48) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL25394467 0.90 NT5E (0.55) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL31652875 0.89 ADORA3 (0.59) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL20724560 0.86 ADORA3 (0.44) ADORA2AADORA3ADORA1NT5EADORA2B
SCHEMBL31652878 0.85 ADORA3 (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL15070706 0.85 ADORA3 (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL15964781 0.85 ADORA2A (0.49) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL15964785 0.82 ADORA2A (0.45) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL15964778 0.82 ADORA2A (0.44) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL15964776 0.82 ADORA2A (0.44) ADORA2AADORA3ADORA1PDE2AADRA1A

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-9296777-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2016-03-29 — — US disclosed
US-20140235563-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-08-21 — — 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-20140235563-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B ADORA2A 88/4885ADORA3 102/4885ADORA1 157/4885

“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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