SCHEMBL5083530

SCHEMBL5083530

O=P(O)(O)COCCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2c(NC3CCCC3)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
NR2F2 P24468 2/20 0.39
GALR3 O60755 1/20 0.39
ADORA1 P30542 2/20 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
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
GPR17 Q13304 1/20 0.37

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
SCHEMBL5083618 0.98 NT5E (0.40) NT5ETAS1R3TAS1R1NR2F2GALR3
SCHEMBL5086049 0.97 NT5E (0.38) NT5ETAS1R3TAS1R1NR2F2GALR3
SCHEMBL5086381 0.86 DNPH1 (0.40) CYP1A2NFKB1THPOPMP22
SCHEMBL5083017 0.86 ADORA1 (0.43) NR2F2GALR3ADORA1CYP1A2CYP3A4
SCHEMBL5083620 0.86 CCNB2 (0.39) NT5EADORA1
SCHEMBL5082970 0.84 NR2F2 (0.43) NR2F2GALR3ADORA1CYP1A2CYP3A4
SCHEMBL5086065 0.84 ABL1 (0.38) NT5EABL1RIN1
SCHEMBL5082994 0.83 ABL1 (0.42) NR2F2GALR3ADORA1CYP1A2CYP3A4
SCHEMBL5085981 0.80 HPRT1 (0.37) NT5ECYP1A2CYP3A4CYP2D6
SCHEMBL6055298 0.76 CCNB2 (0.34)

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 NT5E 1175/4885TAS1R3 3404/4885TAS1R1 4282/4885

“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.