SCHEMBL17106690

SCHEMBL17106690

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 6/20 0.34
▸ METTL3 Q86U44 4/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ DUT P33316 1/20 0.32
▸ P2RY1 P47900 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL17106744 0.92 NT5E (0.38) TOP2AMETTL3PRMT5DUT
SCHEMBL17106805 0.92 DUT (0.33) TOP2AMETTL3PRMT5DUT
SCHEMBL17111270 0.92 NT5E (0.38) TOP2AMETTL3PRMT5DUT
SCHEMBL17111296 0.92 NT5E (0.38) TOP2AMETTL3PRMT5DUT
SCHEMBL17106716 0.87 PRMT5 (0.43) METTL3PRMT5
SCHEMBL17106711 0.81 PDE4D (0.45) METTL3PRMT5POLB
SCHEMBL17106837 0.81 POLB (0.36) METTL3PRMT5POLB
SCHEMBL734839 0.80 POLB (0.46) TOP2ADUTPOLB
SCHEMBL11986900 0.80 POLB (0.46) TOP2ADUTPOLB
SCHEMBL21317432 0.80 POLB (0.46) TOP2ADUTPOLB

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 6 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
EP-3122752-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-01 — — EP disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — US disclosed
WO-2015148746-A1 4'-SUBSTITUTED NUCLEOSIDE-DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO disclosed
WO-2015143712-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — WO 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 TOP2A 280/4885METTL3 624/4885PRMT5 151/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT TOP2A 280/4885METTL3 624/4885PRMT5 151/4885

“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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