SCHEMBL3850636

SCHEMBL3850636

C=C(CO)COc1cc(N)nc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 3/20 0.38
▸ POLB P06746 1/20 0.34
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ MGMT P16455 2/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL23037223 0.84 ALDH1A1 (0.40) NUDT1POLBCDK1CCNB1MGMT
SCHEMBL23037276 0.81 CDK1 (0.46) NUDT1POLBCDK1CCNB1MGMT
SCHEMBL23037259 0.79 NUDT1 (0.33) NUDT1POLBCDK1CCNB1MGMT
SCHEMBL3854995 0.78 NUDT1 (0.33) NUDT1POLBCDK1CCNB1MGMT
SCHEMBL3853468 0.77 FGFR1 (0.30) —
SCHEMBL23037242 0.76 NUDT1 (0.44) NUDT1CDK1CDK2
SCHEMBL6398516 0.75 THRB (0.44) NUDT1POLBNPC1ALDH1A1MAPK1
SCHEMBL3854998 0.75 CDK1 (0.33) NUDT1POLBCDK1CCNB1MGMT
SCHEMBL23113063 0.73 CDK1 (0.35) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL6004165 0.72 NUDT1 (0.33) NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603380-B2 Antiviral acyclonucleoside analogues for use in treating a viral infection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-03-14 — — US disclosed
US-20210079031-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES NEOVIRTECH (FR) 2021-03-18 — — US disclosed
US-20210079031-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES NEOVIRTECH (FR) 2021-03-18 — — US disclosed
EP-3784680-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES Centre national de la recherche scientifique (FR) 2021-03-03 — — EP disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 — — US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 — — US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 — — US disclosed
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 — — US disclosed
EP-1656387-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-05-17 — — EP disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 — — US disclosed
WO-2005012324-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2005-02-10 — — WO 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 (4 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-11603380-B2 Antiviral acyclonucleoside analogues for use in treating a viral infection TYMP, EIF2AK2, ENTPD5 NUDT1 22/4885POLB 118/4885CDK1 621/4885
US-20210079031-A1 NEW ANTIVIRAL ACYCLONUCLEOSIDE ANALOGUES TYMP, EIF2AK2, PNP NUDT1 27/4885POLB 47/4885CDK1 256/4885
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 NUDT1 3/4885POLB 94/4885CDK1 359/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 NUDT1 3/4885POLB 94/4885CDK1 359/4885

“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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