SCHEMBL6513690

SCHEMBL6513690

CNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(N)O)O1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.61
ENPP1 P22413 2/20 0.52
P2RY1 P47900 1/20 0.52
HIF1A Q16665 1/20 0.51
POLB P06746 1/20 0.51
SLC29A1 Q99808 1/20 0.51

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
SCHEMBL30033876 1.00 ADORA3 (0.61) ADORA3ENPP1P2RY1HIF1APOLB
SCHEMBL29450534 0.86 POLB (0.66) ENPP1P2RY1HIF1APOLB
SCHEMBL30229633 0.86 POLB (0.54) ENPP1P2RY1HIF1APOLB
SCHEMBL2986957 0.86 POLB (0.66) ENPP1P2RY1HIF1APOLB
SCHEMBL1401255 0.86 POLB (0.54) ENPP1P2RY1HIF1APOLB
SCHEMBL31685679 0.85 ADORA3 (0.62) ADORA3ENPP1P2RY1POLB
SCHEMBL28912656 0.85 ADORA3 (0.69) ADORA3HIF1ASLC29A1
SCHEMBL23982373 0.84 HIF1A (0.71) ADORA3HIF1ASLC29A1
SCHEMBL548569 0.84 HIF1A (0.71) ADORA3HIF1ASLC29A1
SCHEMBL6267085 0.84 HIF1A (0.71) ADORA3HIF1ASLC29A1

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
CN-113549941-B Microelectrode array and method for electrochemical synthesis of compound by using same 东南大学 2022-08-26 CN disclosed
CN-113549941-A Microelectrode array and method for electrochemical synthesis of compound by using same 东南大学 2021-10-26 CN disclosed
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 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-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT ADORA3 4134/4885ENPP1 254/4885P2RY1 4558/4885

“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.