SCHEMBL21742747

SCHEMBL21742747

[N-]=[N+]=NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 9/20 0.72
▸ TGM2 P21980 1/20 0.72
▸ NT5E P21589 1/20 0.68
▸ FUT5 Q11128 1/20 0.67
▸ P2RY2 P41231 1/20 0.64
▸ P2RY4 P51582 1/20 0.64
▸ P2RY6 Q15077 1/20 0.64
▸ P2RX3 P56373 1/20 0.63
▸ DCPS Q96C86 1/20 0.59
▸ P2RY1 P47900 2/20 0.57

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
SCHEMBL21742888 0.97 NT5E (0.70) KRASTGM2NT5EFUT5P2RY2
Ammonia Solution, Strong SCHEMBL21715317 0.96 NT5E (0.69) KRASTGM2NT5EFUT5P2RY2
SCHEMBL851357 0.91 TGM2 (0.85) KRASTGM2NT5EFUT5P2RY2
SCHEMBL29429843 0.91 TGM2 (0.85) KRASTGM2NT5EFUT5P2RY2
SCHEMBL18769114 0.91 TGM2 (0.85) KRASTGM2NT5EFUT5P2RY2
SCHEMBL21067722 0.91 TGM2 (0.85) KRASTGM2NT5EFUT5P2RY2
SCHEMBL16113890 0.90 TGM2 (0.78) KRASTGM2NT5EFUT5P2RY2
SCHEMBL21742748 0.90 TGM2 (0.78) KRASTGM2NT5EFUT5P2RY2
SCHEMBL16113893 0.90 TGM2 (0.78) KRASTGM2NT5EFUT5P2RY2
SCHEMBL21742687 0.89 TGM2 (0.75) KRASTGM2NT5EFUT5P2RY2

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-10696709-B2 Phosphotriazole MRNA 5′-end cap analogs, composition comprising the same, RNA molecule incorporating the same, uses thereof and method of synthesizing RNA molecule, protein or peptide UNIWERSYTET WARSZAWSKI (PL) 2020-06-30 — — US disclosed
US-20200055891-A1 NOVEL PHOSPHOTRIAZOLE MRNA 5'-END CAP ANALOGS, COMPOSITION COMPRISING THE SAME, RNA MOLECULE INCORPORATING THE SAME, USES THEREOF AND METHOD OF SYNTHESIZING RNA MOLECULE, PROTEIN OR PEPTIDE UNIWERSYTET WARSZAWSKI (PL) 2020-02-20 — — 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-10696709-B2 Phosphotriazole MRNA 5′-end cap analogs, composition comprising the same, RNA molecule incorporating the same, uses thereof and method of synthesizing RNA molecule, protein or peptide RNGTT, RNMT, NSUN3 KRAS 3243/4885TGM2 3265/4885NT5E 1027/4885
US-20200055891-A1 NOVEL PHOSPHOTRIAZOLE MRNA 5'-END CAP ANALOGS, COMPOSITION COMPRISING THE SAME, RNA MOLECULE INCORPORATING THE SAME, USES THEREOF AND METHOD OF SYNTHESIZING RNA MOLECULE, PROTEIN OR PEPTIDE RNGTT, RNMT, NSUN3 KRAS 3403/4885TGM2 3588/4885NT5E 867/4885

“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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