SCHEMBL21141084

SCHEMBL21141084

CC(C)(C)[Si](C)(C)OC[C@@]1(C)O[C@@H](n2ccc3c(N)nc(Cl)nc32)C[C@@H]1O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.36
▸ PRMT5 O14744 5/20 0.33
▸ WDR77 Q9BQA1 4/20 0.33
▸ PNP P00491 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL21140874 0.88 NT5E (0.33) NT5E
SCHEMBL21140873 0.88 NT5E (0.33) NT5E
SCHEMBL21058098 0.87 NT5E (0.34) NT5EPRMT5WDR77PNPLMNA
SCHEMBL19412739 0.84 PNP (0.39) NT5EPRMT5WDR77PNPLMNA
SCHEMBL21141083 0.81 NT5E (0.36) NT5E
SCHEMBL31003392 0.79 NT5E (0.31) NT5E
SCHEMBL21140921 0.79 NT5E (0.31) NT5E
SCHEMBL21058163 0.79 NT5E (0.31) NT5E
SCHEMBL17106727 0.78 NT5E (0.35) NT5EPRMT5PNPLMNATP53
SCHEMBL31003351 0.78 NT5E (0.39) NT5EPRMT5SMN1; SMN2

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-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 (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-20190185508-A1 DEUTERATED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, DIMT1, POLRMT NT5E 1053/4885PRMT5 244/4885WDR77 998/4885

“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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