SCHEMBL546237

SCHEMBL546237

Cn1c(N)nc2c(c1=O)N=C[N]2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CLK4 Q9HAZ1 2/20 0.35
DAPK3 O43293 1/20 0.35
CSNK1A1 P48729 1/20 0.35
LIMK1 P53667 1/20 0.35
TNK2 Q07912 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
BACE1 P56817 4/20 0.33
NTRK1 P04629 1/20 0.33
LTK P29376 1/20 0.33
TYRO3 Q06418 1/20 0.33
NTRK2 Q16620 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7166264 0.78 DAPK3 (0.31) CLK4DAPK3CSNK1A1LIMK1TNK2
SCHEMBL6754824 0.75 ELANE (0.30)
SCHEMBL9260485 0.68 ADORA2A (0.34)
SCHEMBL142922 0.64 QTRT1 (0.42)
SCHEMBL301366 0.63 KDM4E (0.46) KDM4ECLK4DAPK3CSNK1A1LIMK1
SCHEMBL2734243 0.63 HSP90AB1 (0.34) KMT2A
SCHEMBL21393582 0.62 KDM4E (0.49) KDM4E
SCHEMBL8886043 0.60 CDK1 (0.42)
SCHEMBL537482 0.59
SCHEMBL1025894 0.59 CCNA2 (0.37)

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 133 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-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-10669544-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-02 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 (11 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 KDM4E 2821/4885CLK4 4347/4885DAPK3 3072/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 KDM4E 4097/4885CLK4 4364/4885DAPK3 3081/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 KDM4E 2088/4885CLK4 4543/4885DAPK3 2906/4885
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid RNASE1, RNASEH1, RNASEL KDM4E 3985/4885CLK4 2601/4885DAPK3 2720/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 KDM4E 3864/4885CLK4 4429/4885DAPK3 2283/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KDM4E 4097/4885CLK4 4364/4885DAPK3 3081/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 KDM4E 3864/4885CLK4 4429/4885DAPK3 2283/4885
US-10669544-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 KDM4E 3864/4885CLK4 4429/4885DAPK3 2283/4885
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 KDM4E 4650/4885CLK4 4281/4885DAPK3 3725/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KDM4E 4097/4885CLK4 4364/4885DAPK3 3081/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 KDM4E 3196/4885CLK4 4606/4885DAPK3 1909/4885

“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.