SCHEMBL21057978

SCHEMBL21057978

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.40
▸ CHKA P35790 3/20 0.38
▸ NT5E P21589 7/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CA5A P35218 1/20 0.36
▸ DNMT1 P26358 1/20 0.35
▸ DNMT3B Q9UBC3 1/20 0.35
▸ PNP P00491 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RXFP1 Q9HBX9 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
SCHEMBL21058174 0.92 CHKA (0.39) AHCYCHKANT5ELMNAHIF1A
SCHEMBL21140825 0.92 CHKA (0.39) AHCYCHKANT5ELMNAHIF1A
SCHEMBL21058175 0.92 CHKA (0.39) AHCYCHKANT5ELMNAHIF1A
SCHEMBL29592137 0.92 CHKA (0.37) AHCYCHKANT5ELMNAHIF1A
SCHEMBL29592423 0.92 CHKA (0.37) AHCYCHKANT5ELMNAHIF1A
SCHEMBL21140826 0.86 AHCY (0.42) AHCYCHKANT5ELMNAHIF1A
SCHEMBL28689543 0.84 AHCY (0.40) AHCYCHKANT5ELMNAHIF1A
SCHEMBL24822036 0.84 AHCY (0.42) AHCYCHKANT5ELMNAHIF1A
SCHEMBL21058180 0.84 AHCY (0.39) AHCYCHKANT5ELMNAHIF1A
SCHEMBL21058113 0.84 AHCY (0.42) AHCYCHKANT5ELMNAHIF1A

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-20230226093-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME BRII BIOSCIENCES, INC. 2023-07-20 — — US disclosed
US-20190185508-A1 DEUTERATED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-20 — — 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 (2 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-20190185508-A1 DEUTERATED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, DIMT1, POLRMT AHCY 525/4885CHKA 2311/4885NT5E 1053/4885
US-20230226093-A1 ADENOSINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME ADAR, ADA, ADORA2A AHCY 165/4885CHKA 507/4885NT5E 50/4885

“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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