SCHEMBL16474336

SCHEMBL16474336

Nc1nc(Cl)c2ncn([C@@H]3OC(COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 7/20 0.84
CA5A P35218 1/20 0.71
P2RY1 P47900 5/20 0.68
P2RY11 Q96G91 3/20 0.68
TAS1R3 Q7RTX0 2/20 0.68
TAS1R1 Q7RTX1 2/20 0.68
DNPH1 O43598 1/20 0.68
PRKAB2 O43741 1/20 0.68
TRPM2 O94759 1/20 0.68
LDHA P00338 1/20 0.68
ADRB2 P07550 1/20 0.68
FBP1 P09467 1/20 0.68
SRC P12931 1/20 0.68
ADORA1 P30542 1/20 0.68
P2RY2 P41231 1/20 0.68
PRKAG1 P54619 1/20 0.68
PRKAA2 P54646 1/20 0.68
PDE4D Q08499 1/20 0.68
KCNH2 Q12809 1/20 0.68
PRKAA1 Q13131 1/20 0.68

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
SCHEMBL15305345 1.00 NT5E (0.84) NT5ECA5AP2RY1P2RY11TAS1R3
SCHEMBL14948859 0.91 NT5E (0.77) NT5EP2RY1P2RY11SRCP2RY2
SCHEMBL626000 0.91 NT5E (0.77) NT5EP2RY1P2RY11SRCP2RY2
SCHEMBL1885550 0.91 NT5E (0.83) NT5ECA5AP2RY1P2RY11TAS1R3
SCHEMBL3503072 0.91 NT5E (0.83) NT5ECA5AP2RY1P2RY11TAS1R3
E626 SCHEMBL19222125 0.90 CA5A (0.71) NT5ECA5AP2RY1P2RY11TAS1R3
SCHEMBL15071488 0.89 RNASEL (0.68) NT5ECA5AP2RY1P2RY11TAS1R3
SCHEMBL13995548 0.89 CA5A (0.69) NT5ECA5AP2RY1P2RY11TAS1R3
SCHEMBL15248814 0.89 RNASEL (0.68) NT5ECA5AP2RY1P2RY11TAS1R3
6-Thioguanylic Acid SCHEMBL15833214 0.89 CA5A (0.69) NT5ECA5AP2RY1P2RY11TAS1R3

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-9220792-B2 Modified polynucleotides encoding aquaporin-5 MODERNA THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
US-20140105964-A1 MODIFIED POLYNUCLEOTIDES ENCODING AQUAPORIN-5 MODERNA THERAPEUTICS, INC. (US) 2014-04-17 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-20140105964-A1 MODIFIED POLYNUCLEOTIDES ENCODING AQUAPORIN-5 AQP1, AQP3, AQP4 NT5E 198/4885CA5A 371/4885P2RY1 808/4885

“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.