SCHEMBL20451069

SCHEMBL20451069

CC(C)(C)OC(=O)NC(c1nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2[nH]1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
AAK1 Q2M2I8 5/20 0.42
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
DGAT1 O75907 1/20 0.34
USP30 Q70CQ3 2/20 0.34
HIF1A Q16665 2/20 0.33
BCHE P06276 1/20 0.33
PTPN1 P18031 1/20 0.33
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL16532832 0.92 AAK1 (0.44) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL15116827 0.87 AAK1 (0.52) PRMT5WDR77AAK1
SCHEMBL20054464 0.87 AAK1 (0.52) PRMT5WDR77AAK1
SCHEMBL19184968 0.82 AAK1 (0.46) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL16515607 0.80 SCN10A (0.36) PRMT5WDR77AAK1DGAT1KMT2A
SCHEMBL15116600 0.79 AAK1 (0.42) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL20054411 0.79 AAK1 (0.42) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL18440464 0.79 PRMT5 (0.36) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL20468222 0.79 AAK1 (0.43) PRMT5WDR77AAK1BACE1BACE2
SCHEMBL23705464 0.78 PRMT5 (0.57) PRMT5WDR77AAK1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617675-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 US disclosed
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-09 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-10617675-B2 Hepatitis C virus inhibitors HAVCR2, MAVS, EIF2AK2 PRMT5 2123/4885WDR77 3323/4885AAK1 2213/4885
US-20180221342-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 PRMT5 2123/4885WDR77 3323/4885AAK1 2213/4885

“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.