SCHEMBL6293320

SCHEMBL6293320

Fc1ncc2ncn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.56
▸ PDE2A O00408 4/20 0.54
▸ BCHE P06276 1/20 0.50
▸ TP53 P04637 2/20 0.41
▸ MDM2 Q00987 2/20 0.41
▸ MDM4 O15151 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PTPN1 P18031 8/20 0.39
▸ CDC25B P30305 8/20 0.39
▸ PTPN2 P17706 4/20 0.39
▸ PTPN6 P29350 3/20 0.39
▸ PTPN11 Q06124 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CDC25A P30304 2/20 0.39

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
SCHEMBL11420439 0.84 PDE2A (0.61) HTR1APDE2ABCHETP53MDM2
SCHEMBL750344 0.83 PDE2A (0.72) HTR1APDE2ABCHE
SCHEMBL9097705 0.78 PDE2A (0.70) HTR1APDE2ABCHETP53
SCHEMBL8764444 0.78 PDE2A (0.70) HTR1APDE2ABCHE
SCHEMBL11227449 0.77 HTR1A (0.55) HTR1APDE2ABCHETP53MDM2
SCHEMBL5961364 0.77 PDE2A (0.64) HTR1APDE2ABCHE
SCHEMBL11427985 0.77 PDE2A (0.64) HTR1APDE2ABCHE
SCHEMBL6306351 0.76 PDE2A (0.61) HTR1APDE2ABCHETP53MDM2
SCHEMBL6306348 0.76 PDE2A (0.61) HTR1APDE2ABCHETP53MDM2
SCHEMBL19100925 0.74 PDE2A (0.60) PDE2A

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-6884880-B2 Process for the preparation of 9-β-anomeric nucleoside analogs ASH STEVENS, INC. (US) 2005-04-26 — — US disclosed
US-20040039190-A1 Process for the preparation of 9-beta-anomeric nucleoside analogs ASH STEVENS, INC. 2004-02-26 — — 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-20040039190-A1 Process for the preparation of 9-beta-anomeric nucleoside analogs DPYD, SLC29A2, GALE HTR1A 2282/4885PDE2A 1120/4885BCHE 2476/4885

“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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