SCHEMBL22435002

SCHEMBL22435002

CC(C)(C)OC(=O)NCC[C@@H]1CCCN1C[C@@H]1CC[C@H](n2ccc3c(N)ncnc32)O1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 9/20 0.38
▸ WDR77 Q9BQA1 8/20 0.38
▸ DOT1L Q8TEK3 3/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36
▸ METTL3 Q86U44 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ ADK P55263 1/20 0.34

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
SCHEMBL22434915 0.87 DOT1L (0.49) PRMT5WDR77DOT1LMETTL3
SCHEMBL22435083 0.87 DOT1L (0.49) PRMT5WDR77DOT1LMETTL3
SCHEMBL23584688 0.87 DOT1L (0.49) PRMT5WDR77DOT1LMETTL3
SCHEMBL23584774 0.85 SIRT2 (0.38) PRMT5WDR77DOT1LSIRT2SIRT1
SCHEMBL22434971 0.85 SIRT2 (0.41) PRMT5WDR77DOT1LSIRT2SIRT1
SCHEMBL22435004 0.84 PRMT5 (0.37) PRMT5WDR77DOT1LSIRT2SIRT1
SCHEMBL23584708 0.84 PRMT5 (0.40) PRMT5WDR77DOT1LMETTL3ADK
SCHEMBL23584551 0.83 DDR1 (0.36) PRMT5WDR77
SCHEMBL19343852 0.83 PRMT5 (0.41) PRMT5WDR77DOT1LMETTL3
SCHEMBL23584729 0.82 PRMT5 (0.38) PRMT5WDR77DOT1LMETTL3MAP4K4

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-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-17 — — 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-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 PRMT5 1/4885WDR77 133/4885DOT1L 23/4885

“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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