SCHEMBL20353076

SCHEMBL20353076

N#CCCOP(=O)(O)OC[C@@H]1CC[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.45
P2RY2 P41231 2/20 0.45
P2RY1 P47900 1/20 0.45
P2RY6 Q15077 1/20 0.45
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 0.42
P2RX4 Q99571 1/20 0.42
DNPH1 O43598 2/20 0.41
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL20026293 0.93 P2RY12 (0.43) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL19146392 0.92 P2RY12 (0.42) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL24444139 0.90 ADORA1 (0.43) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19146722 0.89 P2RY12 (0.42) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19145868 0.89 P2RY12 (0.40) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL25293 0.88 P2RY12 (0.48) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL21726069 0.88 P2RY12 (0.55) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL21376284 0.88 P2RY12 (0.40) P2RY12P2RY2P2RY1P2RY6ABL1
SCHEMBL22337037 0.87 TYMP (0.42) P2RY12P2RY2P2RY1P2RY6P2RX3
SCHEMBL22858552 0.86 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6P2RX3

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-10450341-B2 Cyclic di-nucleotides as modulators of STING GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-22 US disclosed
US-20180186828-A1 CYCLIC DI-NUCLEOTIDES AS MODULATORS OF STING GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-05 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 (2 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-10450341-B2 Cyclic di-nucleotides as modulators of STING STING1, CGAS, IRF3 P2RY12 52/4885P2RY2 57/4885P2RY1 26/4885
US-20180186828-A1 CYCLIC DI-NUCLEOTIDES AS MODULATORS OF STING STING1, CGAS, IRF3 P2RY12 52/4885P2RY2 57/4885P2RY1 26/4885

“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.