SCHEMBL26347679

SCHEMBL26347679

COc1ccnc(COP(=O)(O)/C=C/[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](F)[C@@H]2O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 3/20 0.43
▸ GAPDH P04406 2/20 0.43
▸ P2RY2 P41231 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ P2RY6 Q15077 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ DNPH1 O43598 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
SCHEMBL30448663 1.00 P2RY12 (0.43) P2RY12GAPDHP2RY2P2RY1P2RY6
SCHEMBL26347734 0.86 GAPDH (0.41) P2RY12GAPDHP2RY2P2RY1P2RY6
SCHEMBL30448759 0.86 GAPDH (0.41) P2RY12GAPDHP2RY2P2RY1P2RY6
SCHEMBL30580422 0.86 P2RY12 (0.46) P2RY12P2RY2P2RY1P2RY6ADORA2A
SCHEMBL26347769 0.86 GAPDH (0.43) P2RY12GAPDHP2RY2P2RY1P2RY6
SCHEMBL14102400 0.82 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6ADORA2A
SCHEMBL3320975 0.82 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6ADORA2A
SCHEMBL3320995 0.82 P2RY12 (0.47) P2RY12P2RY2P2RY1P2RY6ADORA2A
SCHEMBL13396790 0.80 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6ADORA2A
SCHEMBL26347749 0.80 GAPDH (0.38) P2RY12GAPDHP2RY2P2RY1P2RY6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR, V.V.I. (CZ) 2023-09-28 — — 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-20230303613-A1 3′3′ CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE STING1, CGAS, IRF3 P2RY12 39/4885GAPDH 2262/4885P2RY2 24/4885

“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.

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