SCHEMBL21895683

SCHEMBL21895683

Nc1nc2c(ncn2[C@@H]2O[C@H](OP(=O)(O)O)CC2O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ NT5E P21589 1/20 0.54
▸ FUT5 Q11128 1/20 0.53
▸ PNP P00491 2/20 0.53
▸ STING1 Q86WV6 3/20 0.52
▸ PDE3B Q13370 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ TGM2 P21980 1/20 0.51
▸ HPRT1 P00492 1/20 0.49
▸ P2RY2 P41231 1/20 0.49
▸ P2RY4 P51582 1/20 0.49
▸ P2RY6 Q15077 1/20 0.49
▸ HINT1 P49773 1/20 0.48
▸ IMPDH2 P12268 1/20 0.47

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
SCHEMBL21895684 0.92 NT5E (0.53) POLBNT5EFUT5PNPSTING1
SCHEMBL12151598 0.87 HPRT1 (0.61) POLBNT5EFUT5PNPSTING1
SCHEMBL12154664 0.87 HPRT1 (0.61) POLBNT5EFUT5PNPSTING1
SCHEMBL3759846 0.87 HPRT1 (0.61) POLBNT5EFUT5PNPSTING1
SCHEMBL12154815 0.85 POLB (0.57) POLBNT5EFUT5PNPSTING1
SCHEMBL12151602 0.85 POLB (0.57) POLBNT5EFUT5PNPSTING1
SCHEMBL2922052 0.84 POLB (0.61) POLBNT5EFUT5PNPSTING1
SCHEMBL20442307 0.84 POLB (0.61) POLBNT5EFUT5PNPSTING1
Phosphoric Acid SCHEMBL16213328 0.82 NT5E (0.54) POLBNT5EFUT5PNPSTING1
SCHEMBL12300885 0.82 NT5E (0.51) POLBNT5EFUT5PNPSTING1

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
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 — — WO disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 — — 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-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR POLB 3320/4885NT5E 3116/4885FUT5 4526/4885

“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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