SCHEMBL5083644

SCHEMBL5083644

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.41
ADORA3 P0DMS8 8/20 0.41
ADORA2A P29274 8/20 0.41
ADORA2B P29275 8/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
NT5E P21589 1/20 0.38

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
SCHEMBL5083566 0.98 TAS1R3 (0.42) ADORA1ADORA3ADORA2AADORA2BTAS1R3
SCHEMBL5086064 0.97 TAS1R3 (0.38) ADORA1ADORA3ADORA2AADORA2BTAS1R3
SCHEMBL5083648 0.87 DNPH1 (0.37) ADORA1ADORA2AADORA2BNT5E
SCHEMBL5082973 0.83 ADORA1 (0.46) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5086082 0.83 NPC1 (0.36) ADORA1ADORA2AADORA2BNT5E
SCHEMBL5083021 0.81 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5086004 0.81 KDM4E (0.36) ADORA2ACYP1A2CYP3A4CYP2D6NT5E
SCHEMBL5083000 0.80 ADORA1 (0.41) ADORA1ADORA3ADORA2AADORA2BCYP1A2
SCHEMBL5086442 0.78 TAS1R3 (0.42) ADORA1ADORA3ADORA2AADORA2BTAS1R3
SCHEMBL5086122 0.77 TAS1R3 (0.39) ADORA1ADORA3ADORA2AADORA2BTAS1R3

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.