SCHEMBL17131315

SCHEMBL17131315

CC[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)C[C@@H]1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.61
▸ PRMT5 O14744 4/20 0.50
▸ METTL3 Q86U44 9/20 0.49
▸ RAPGEF3 O95398 1/20 0.43
▸ DOT1L Q8TEK3 2/20 0.41
▸ PRMT3 O60678 1/20 0.41
▸ DNMT1 P26358 1/20 0.41
▸ NNMT P40261 1/20 0.41

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
SCHEMBL17131312 0.90 ADK (0.55) ADKPRMT5METTL3RAPGEF3DOT1L
SCHEMBL17131299 0.87 ADK (0.52) ADKPRMT5METTL3
SCHEMBL17131324 0.86 ADK (0.61) ADKPRMT5METTL3
SCHEMBL17131320 0.86 METTL3 (0.50) ADKPRMT5METTL3
SCHEMBL10015663 0.86 ADK (0.61) ADKPRMT5METTL3
SCHEMBL17131292 0.86 ADK (0.45) ADKPRMT5METTL3
SCHEMBL15576185 0.82 CA2 (0.44) ADKPRMT5METTL3DOT1L
SCHEMBL17131316 0.81 ADK (0.52) ADKPRMT5METTL3RAPGEF3
SCHEMBL24313576 0.80 PRMT5 (0.59) ADKPRMT5METTL3DNMT1
SCHEMBL20419182 0.80 PRMT5 (0.59) ADKPRMT5METTL3DNMT1

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 ADK 731/4885PRMT5 151/4885METTL3 624/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT ADK 731/4885PRMT5 151/4885METTL3 624/4885

“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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