SCHEMBL546663

SCHEMBL546663

CNc1nc2c(c(=O)[nH]1)N=C[N]2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.40
XDH P47989 2/20 0.38
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL10590403 0.81 NLRP3 (0.40) KDM4EALDH1A1
SCHEMBL17260465 0.76 LCK (0.38) ALDH1A1
SCHEMBL142922 0.74 QTRT1 (0.42) TYMSXDH
SCHEMBL546930 0.74 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL6857232 0.70 PKM (0.46) KDM4EALDH1A1
SCHEMBL14110225 0.67 TYMS (0.46) TYMSXDHCSNK2A2CSNK2BCSNK2A1
SCHEMBL5769223 0.66 PDE9A (0.38)
SCHEMBL11683430 0.66 ALDH1A1 (0.42) TYMSXDHALDH1A1CSNK2A2CSNK2B
SCHEMBL355917 0.62 ALDH1A1 (0.40) XDHKDM4EALDH1A1
SCHEMBL28969 0.61 PDPK1 (0.41) TYMSXDHKDM4EALDH1A1CSNK2A2

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 132 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US claimed
EP-1625138-A2 PROTECTED MONOMERS Alnylam Pharmaceuticals Inc. (US) 2006-02-15 EP claimed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO claimed
US-20220403377-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2022-12-22 US disclosed
US-11530408-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210254065-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. 2021-08-19 US disclosed
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PURETECH LYT, INC. (US) 2021-06-17 US disclosed
US-11015194-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2021-05-25 US disclosed
US-20200255833-A1 THERAPEUTIC COMPOSITIONS BANK OF AMERICA, N.A. 2020-08-13 US disclosed
US-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20050153337-A1 iRNA conjugates ALNYLAM PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid ALNYLAM PHARMACEUTICALS, INC. 2005-06-02 US disclosed
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs ALNYLAM PHARMACEUTICALS, INC. 2005-05-19 US disclosed
WO-2005004794-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASE ALNYLAM PHARMACEUTICALS INC. (US) 2005-01-20 WO disclosed
WO-2004094595-A2 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO disclosed
WO-2004094345-A2 PROTECTED MONOMERS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO disclosed
WO-2004091515-A2 iRNA CONJUGATES ALNYLAM PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
WO-2004090108-A2 IRNA CONJUGATES ALNYLAM PHARMACEUTICALS (US) 2004-10-21 WO disclosed
WO-2004080406-A2 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2004-09-23 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 (10 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-20050153337-A1 iRNA conjugates AGO2, NSUN3, RNASE1 TYMS 1610/4885XDH 3375/4885KDM4E 2821/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 TYMS 833/4885XDH 2450/4885KDM4E 4097/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 TYMS 2590/4885XDH 4617/4885KDM4E 2088/4885
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid RNASE1, RNASEH1, RNASEL TYMS 771/4885XDH 3070/4885KDM4E 3985/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 TYMS 2371/4885XDH 4309/4885KDM4E 3864/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 TYMS 833/4885XDH 2450/4885KDM4E 4097/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 TYMS 2371/4885XDH 4309/4885KDM4E 3864/4885
US-20050107325-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to entrance into tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; antitumor biodrugs LDLR, SLC29A1, SLC29A2 TYMS 143/4885XDH 3232/4885KDM4E 4650/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 TYMS 833/4885XDH 2450/4885KDM4E 4097/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 TYMS 902/4885XDH 2529/4885KDM4E 3196/4885

“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.