SCHEMBL13759697

SCHEMBL13759697

CC(C)(C)OC(=O)N1[C@@H](CC#N)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
GPR119 Q8TDV5 6/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
USP30 Q70CQ3 1/20 0.34
SMYD2 Q9NRG4 1/20 0.33
KCNA3 P22001 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
STS P08842 1/20 0.33
CTSS P25774 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL30790876 0.88 DPP4 (0.42) ABCB1GPR119KDM4EPKMUSP30
SCHEMBL13759689 0.87 ABCB1 (0.40) ABCB1GPR119KDM4EPKMSMYD2
SCHEMBL31224155 0.87 ABCB1 (0.40) ABCB1GPR119KDM4EPKMSMYD2
SCHEMBL17948125 0.85 ABCB1 (0.38) ABCB1GPR119KDM4EPKMSMYD2
SCHEMBL1769258 0.85 ABCB1 (0.38) ABCB1GPR119KDM4EPKMUSP30
SCHEMBL29007758 0.85 ABCB1 (0.38) ABCB1GPR119KDM4EPKMUSP30
SCHEMBL31224004 0.84 ABCB1 (0.37) ABCB1GPR119KDM4EPKMSMYD2
SCHEMBL25581981 0.84 STS (0.37) ABCB1GPR119KDM4EPKMUSP30
SCHEMBL31224890 0.83 ABCB1 (0.39) ABCB1GPR119KDM4EPKMUSP30
SCHEMBL1769372 0.83 ABCB1 (0.36) ABCB1GPR119KDM4EPKMSMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560434-B2 AZA nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-7560434-B2 AZA nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2009-07-14 US disclosed
US-20070099942-A1 AZA nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2007-05-03 US disclosed
US-20070099942-A1 AZA nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2007-05-03 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-20070099942-A1 AZA nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases NSUN2, NSUN3, POLR2H ABCB1 2197/4885GPR119 1673/4885KDM4E 773/4885

“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.