SCHEMBL17131313

SCHEMBL17131313

C[C@H]1C[C@H](n2ccc3c(N)nc(Cl)nc32)O[C@@H]1C=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.37
▸ PNP P00491 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ADORA3 P0DMS8 3/20 0.33
▸ PRMT5 O14744 4/20 0.32
▸ WDR77 Q9BQA1 4/20 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
SCHEMBL17131338 0.87 AHCY (0.34) —
SCHEMBL17106658 0.82 NT5E (0.37) NT5EPNPLMNATP53HTT
SCHEMBL17114354 0.82 NT5E (0.37) NT5EPNPLMNATP53HTT
SCHEMBL23469016 0.82 ADK (0.43) PRMT5WDR77
SCHEMBL17131290 0.82 ADK (0.43) PRMT5WDR77
SCHEMBL17131307 0.81 PDE4D (0.42) NT5EPNPLMNATP53HTT
SCHEMBL17131306 0.80 PDE4D (0.51) NT5EPNPLMNATP53HTT
SCHEMBL19412701 0.73 AHCY (0.38) NT5ELMNAPRMT5WDR77
SCHEMBL23584458 0.73 NT5E (0.39) NT5ERXFP1PRMT5WDR77
SCHEMBL19343806 0.73 NT5E (0.39) NT5ERXFP1PRMT5WDR77

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT NT5E 217/4885PNP 5/4885LMNA 2821/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT NT5E 217/4885PNP 5/4885LMNA 2821/4885

“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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