SCHEMBL5086430

SCHEMBL5086430

CC(C)(C)OC(=O)C(OP(=O)(O)COCCC(CO)n1cnc2c(NC3CCCC3)ncnc21)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5083657 0.87 FGFR1 (0.36) ADORA3
SCHEMBL5086346 0.84 CCNB2 (0.36)
SCHEMBL5082281 0.84 FGFR1 (0.46) CYP3A4CYP2D6
SCHEMBL5086107 0.82 FGFR1 (0.37) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5083025 0.81 POLB (0.38) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL5086440 0.80 DNPH1 (0.35)
SCHEMBL5086067 0.78 FGFR1 (0.44) CYP3A4CYP2D6
SCHEMBL5086360 0.77 FGFR1 (0.43) ADORA1CYP3A4CYP2D6ADORA2A
SCHEMBL5082379 0.77 FGFR1 (0.33)
SCHEMBL5086061 0.77 FGFR1 (0.44) CYP3A4CYP2D6

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-7388002-B2 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
US-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-08 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-20060122391-A1 Nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases POLR2H, NSUN2, POLR2E ADORA1 1330/4885CYP1A2 1053/4885CYP3A4 941/4885

“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.