SCHEMBL545952

SCHEMBL545952

CN(C)c1n[c]nc2nc[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 3/20 0.58
LRRK2 Q5S007 2/20 0.58
CHEK1 O14757 1/20 0.58
AURKA O14965 1/20 0.58
CHEK2 O96017 1/20 0.58
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
PRKACA P17612 1/20 0.58
CCNE1 P24864 1/20 0.58
CDK2 P24941 1/20 0.58
MARK3 P27448 1/20 0.58
RPS6KA3 P51812 1/20 0.58
PRKCD Q05655 1/20 0.58
MARK2 Q7KZI7 1/20 0.58
HSD17B10 Q99714 3/20 0.41
EGFR P00533 1/20 0.41
CSF1R P07333 1/20 0.41
HTT P42858 6/20 0.39
MAP3K5 Q99683 1/20 0.39
NCOA1 Q15788 1/20 0.37

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
Dimethyladenine SCHEMBL152594 0.73 LRRK2 (1.00) PDPK1LRRK2CHEK1AURKACHEK2
Dimethyladenine SCHEMBL29349831 0.73 LRRK2 (1.00) PDPK1LRRK2CHEK1AURKACHEK2
Dimethyladenine SCHEMBL11157548 0.72 PDPK1 (0.96) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL9047405 0.71 ALDH1A1 (0.40) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL8583607 0.71 PI4KA (0.53) PDPK1LRRK2CDK2MAP3K5ALDH1A1
SCHEMBL545951 0.70 PDPK1 (0.37) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL546075 0.70 XDH (0.53) CDK2HSD17B10HTTSMN1; SMN2ALDH1A1
SCHEMBL9705707 0.69 CDK2 (0.56) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL6747380 0.69 CHEK1 (0.56) PDPK1LRRK2CHEK1AURKACHEK2
SCHEMBL401117 0.69 PDPK1 (0.59) PDPK1LRRK2CHEK1AURKACHEK2

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-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-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2020-02-04 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 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 PDPK1 4009/4885LRRK2 2027/4885CHEK1 2289/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PDPK1 2827/4885LRRK2 2155/4885CHEK1 1535/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 PDPK1 3389/4885LRRK2 3317/4885CHEK1 4530/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PDPK1 2827/4885LRRK2 2155/4885CHEK1 1535/4885
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid RNASE1, RNASEH1, RNASEL PDPK1 3303/4885LRRK2 1696/4885CHEK1 1080/4885
US-10550386-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) FANCI, PCNA, DNMT1 PDPK1 4568/4885LRRK2 3817/4885CHEK1 1989/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PDPK1 2827/4885LRRK2 2155/4885CHEK1 1535/4885
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 PDPK1 2395/4885LRRK2 2399/4885CHEK1 3471/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PDPK1 2827/4885LRRK2 2155/4885CHEK1 1535/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 PDPK1 4540/4885LRRK2 3251/4885CHEK1 1607/4885

“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.