SCHEMBL546176

SCHEMBL546176

C[C@@H](O)[C@H](N)C(=O)NC(=O)N(C)c1n[c]nc2nc[nH]c12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
PDPK1 O15530 1/20 0.32
CHEK2 O96017 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PRKACA P17612 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
MARK3 P27448 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PRKCD Q05655 1/20 0.32
LRRK2 Q5S007 1/20 0.32
MARK2 Q7KZI7 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL29638103 0.84 LRRK2 (0.48) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL17372626 0.84 LRRK2 (0.48) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL546175 0.83
SCHEMBL546926 0.77 NPC1 (0.37) HSD17B10
SCHEMBL17372625 0.74 TARS1 (0.31)
SCHEMBL17372629 0.74 TARS1 (0.31)
SCHEMBL545952 0.69 PDPK1 (0.58) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL28696556 0.68 LRRK2 (0.45) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL25292763 0.68 CHEK1 (0.45) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL31439406 0.68 LRRK2 (0.54) CHEK1AURKAPDPK1CHEK2HSP90AA1

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 112 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-10669544-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-02 US disclosed
EP-1608735-A2 IRNA CONJUGATES Alnylam Pharmaceuticals (US) 2005-12-28 EP disclosed
EP-1605978-A2 THERAPEUTIC COMPOSITIONS Alnylam Pharmaceuticals Inc. (US) 2005-12-21 EP disclosed
US-20050256069-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs BANK OF AMERICA, N.A. 2005-11-17 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 (8 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-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 CHEK1 1535/4885AURKA 992/4885PDPK1 2827/4885
US-20050256069-A1 Conjugated lipophilic group with a modified nucleotide is used to target disease gene, cells, tissue, for drug delivery to target tumor cells; ribose sugar of nucleotide is replaced with a cyclic carrier which has at least one attached phosphate or phosphorothioate group; biodrugs LDLR, RNASE1, LRAT CHEK1 2947/4885AURKA 1899/4885PDPK1 2338/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 CHEK1 4530/4885AURKA 1439/4885PDPK1 3389/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 CHEK1 2192/4885AURKA 3314/4885PDPK1 3170/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 CHEK1 2192/4885AURKA 3314/4885PDPK1 3170/4885
US-10669544-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 CHEK1 2192/4885AURKA 3314/4885PDPK1 3170/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 CHEK1 1535/4885AURKA 992/4885PDPK1 2827/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 CHEK1 1607/4885AURKA 3471/4885PDPK1 4540/4885

“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.