SCHEMBL5082973

SCHEMBL5082973

CCC(O)(COC(c1ccccc1)(c1ccccc1)c1ccccc1)n1cnc2c(NC3CCC3)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.46
ADORA3 P0DMS8 10/20 0.46
ADORA2A P29274 9/20 0.46
ADORA2B P29275 8/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
PMP22 Q01453 1/20 0.44
ABL1 P00519 1/20 0.40
NR2F2 P24468 1/20 0.40
RIN1 Q13671 1/20 0.40

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
SCHEMBL5083021 0.98 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5083000 0.96 ADORA1 (0.41) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5080069 0.85 CDK1 (0.40) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL5083644 0.83 ADORA1 (0.41) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5083566 0.81 TAS1R3 (0.42) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5080090 0.81 RAB9A (0.40) ADORA1ADORA2AADORA2BABL1RIN1
SCHEMBL5086064 0.79 TAS1R3 (0.38) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5082276 0.78 SMN1; SMN2 (0.40) ADORA2ACYP1A2CYP2D6
SCHEMBL5082970 0.74 NR2F2 (0.43) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5083017 0.72 ADORA1 (0.43) ADORA1ADORA3ADORA2AADORA2BCYP1A2

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 1330/4885ADORA3 170/4885ADORA2A 1427/4885

“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.