SCHEMBL19944484

SCHEMBL19944484

O=C(Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@](=O)(O)S)O1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.47
P2RY2 P41231 2/20 0.45
P2RY1 P47900 1/20 0.45
P2RY6 Q15077 1/20 0.45
DNPH1 O43598 2/20 0.44
CYP1A2 P05177 1/20 0.42
P2RX3 P56373 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX2 Q9UBL9 1/20 0.42

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
SCHEMBL22858552 1.00 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL21726069 0.93 P2RY12 (0.55) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL21263848 0.91 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL24322092 0.90 P2RY12 (0.43) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL25293 0.90 P2RY12 (0.48) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL20692061 0.89 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19146239 0.88 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6CYP1A2
SCHEMBL21540034 0.87 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL20353076 0.86 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL23621388 0.86 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6DNPH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002323-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2021-01-07 US disclosed
US-10449211-B2 Compositions and methods for activating “stimulator of interferon gene”—dependent signalling Aduro Biotech, Inc. (US) 2019-10-22 US disclosed
US-20180064745-A1 COMPOSITIONS AND METHODS FOR ACTIVATING \"STIMULATOR OF INTERFERON GENE\" - DEPENDENT SIGNALLING Aduro Biotech, Inc. (US) 2018-03-08 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 (3 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-20210002323-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, CD38, NTPCR P2RY12 1249/4885P2RY2 985/4885P2RY1 762/4885
US-10449211-B2 Compositions and methods for activating “stimulator of interferon gene”—dependent signalling STING1, IRF3, CGAS P2RY12 73/4885P2RY2 24/4885P2RY1 23/4885
US-20180064745-A1 COMPOSITIONS AND METHODS FOR ACTIVATING \"STIMULATOR OF INTERFERON GENE\" - DEPENDENT SIGNALLING STING1, IRF3, CGAS P2RY12 81/4885P2RY2 18/4885P2RY1 23/4885

“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.