SCHEMBL6512797

SCHEMBL6512797

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@]2(O)OCF)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ ADORA3 P0DMS8 1/20 0.47
▸ HINT1 P49773 4/20 0.46
▸ NT5E P21589 1/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ PNP P00491 2/20 0.44
▸ GSK3A P49840 2/20 0.44
▸ RPS6KA3 P51812 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ EDNRA P25101 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HBB P68871 1/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL31011272 0.89 HPGD (0.50) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL858664 0.89 HPGD (0.54) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL23883607 0.88 HPGD (0.50) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL6515281 0.88 HPGD (0.47) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL16769784 0.86 HPGD (0.50) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL14594720 0.86 ADORA3 (0.50) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL16777461 0.86 HPGD (0.50) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL19352193 0.86 ADORA3 (0.50) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL31113298 0.86 ADORA2A (0.47) HPGDADORA3HINT1NT5EADORA2A
SCHEMBL4844756 0.85 ADORA3 (0.51) HPGDADORA3HINT1NT5EADORA2A

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-20050266422-A1 Fluoroalkoxy, nucleosides, nucleotides, and polynucleotides SIRNA THERAPEUTICS, INC. (US) 2005-12-01 — — 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-20050266422-A1 Fluoroalkoxy, nucleosides, nucleotides, and polynucleotides NSUN3, IRF3, SNRPF HPGD 4616/4885ADORA3 109/4885HINT1 982/4885

“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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