SCHEMBL12030980

SCHEMBL12030980

Nc1nc2c(nc(Br)n2C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 4/20 0.79
▸ MAPT P10636 2/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ TLR7 Q9NYK1 2/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NADK O95544 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSPA5 P11021 1/20 0.45
▸ HSPA8 P11142 1/20 0.45

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
SCHEMBL56019 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
SCHEMBL12150662 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
SCHEMBL56018 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
SCHEMBL14941501 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
SCHEMBL10117789 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
SCHEMBL23202308 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
SCHEMBL12746818 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
SCHEMBL2774442 1.00 PNP (0.79) PNPMAPTCYP3A4MEN1KMT2A
Water SCHEMBL5501671 0.99 PNP (0.78) PNPMAPTCYP3A4MEN1KMT2A
Water SCHEMBL5501677 0.99 PNP (0.78) PNPMAPTCYP3A4MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344261-B2 Immunomodulatory conjugates ASCEND BIOPHARMACEUTICALS LTD (AU) 2019-07-09 — — US disclosed
US-20150030626-A1 IMMUNOMODULATORY CONJUGATES Ascend Biopharamaceuticals Ltd (AU) 2015-01-29 — — US disclosed
EP-2399588-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-12-28 — — EP disclosed
EP-2360166-A1 Nucleoside derivatives as inhibitors of RNA-dependent RNA viral polymerase Merck Sharp & Dohme Corp. (US) 2011-08-24 — — EP 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 (2 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-10344261-B2 Immunomodulatory conjugates CLEC4M, TLR3, CD74 PNP 3240/4885MAPT 2147/4885CYP3A4 4440/4885
US-20150030626-A1 IMMUNOMODULATORY CONJUGATES CLEC4M, TLR3, CD74 PNP 3240/4885MAPT 2147/4885CYP3A4 4440/4885

“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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