SCHEMBL6400576

SCHEMBL6400576

COc1ccc2nc([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)sc2c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 9/20 0.83
▸ P2RY4 P51582 2/20 0.61
▸ DNPH1 O43598 1/20 0.44
▸ P2RY6 Q15077 1/20 0.43
▸ SCD O00767 3/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CASP2 P42575 1/20 0.41

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
SCHEMBL6400565 0.91 P2RY2 (1.00) P2RY2P2RY4P2RY6
SCHEMBL6393348 0.86 P2RY2 (0.82) P2RY2P2RY4NPC1RAB9AKDM4E
SCHEMBL6394303 0.84 P2RY2 (0.82) P2RY2P2RY4DNPH1P2RY6
SCHEMBL6394999 0.84 P2RY2 (0.65) P2RY2P2RY4NPC1RAB9ACYP1A2
Phosphoric Acid SCHEMBL6400578 0.82 P2RY2 (0.63) P2RY2SCDNPC1RAB9AMEN1
SCHEMBL6886614 0.81 P2RY2 (0.83) P2RY2P2RY4P2RY6
Benzoic Acid SCHEMBL6397602 0.79 P2RY2 (0.60) P2RY2P2RY4SCDNPC1RAB9A
SCHEMBL6400291 0.79 P2RY2 (0.82) P2RY2P2RY4P2RY6ALDH1A1GAA
SCHEMBL6395433 0.77 P2RY2 (0.84) P2RY2P2RY4P2RY6DYRK1A
SCHEMBL6393343 0.77 P2RY2 (1.00) P2RY2P2RY4

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-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides CELLTECH R & D LIMITED (GB) 2005-01-13 — — 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-20050009777-A1 Non-natural carbon-linked nucleotides and dinucleotides P2RY1, P2RY11, P2RY13 P2RY2 4/4885P2RY4 6/4885DNPH1 1532/4885

“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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