SCHEMBL21078589

SCHEMBL21078589

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ AHCY P23526 4/20 0.45
▸ ADORA2A P29274 2/20 0.41
▸ CA5A P35218 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ ADA P00813 1/20 0.38

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
SCHEMBL31228218 1.00 NT5E (0.48) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL21078466 0.91 AHCY (0.43) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL30138569 0.86 ADORA2A (0.51) AHCYADORA2AADORA3ADORA2BADORA1
SCHEMBL19859704 0.86 ADORA2A (0.51) AHCYADORA2AADORA3ADORA2BADORA1
SCHEMBL19859359 0.85 ADORA2A (0.34) NT5ELMNAHIF1AADORA2AADORA3
SCHEMBL31228262 0.82 P2RY1 (0.47) NT5ECA5A
SCHEMBL15833211 0.82 ADORA3 (0.48) NT5EADORA3
SCHEMBL15833130 0.82 ADORA3 (0.48) NT5EADORA3
SCHEMBL16373866 0.81 ADORA2A (0.36) NT5EADORA2AADORA3ADORA2BADORA1
SCHEMBL19859343 0.80 LMNA (0.60) NT5ELMNAHIF1AAHCYADORA2A

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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B NT5E 13/4885LMNA 982/4885HIF1A 2491/4885

“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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