SCHEMBL546930

SCHEMBL546930

CN(C)c1nc2c(c(=O)[nH]1)N=C[N]2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAT2A P31153 1/20 0.33
PIK3CB P42338 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
SCHEMBL546663 0.74 TYMS (0.40) KDM4EALDH1A1
SCHEMBL142922 0.73 QTRT1 (0.42)
SCHEMBL6857232 0.69 PKM (0.46) KDM4EALDH1A1LMNAHPGD
SCHEMBL10590403 0.67 NLRP3 (0.40) KDM4EALDH1A1
SCHEMBL4337068 0.65 PAX3 (0.39) KDM4EALDH1A1LMNAHPGD
SCHEMBL5769223 0.65 PDE9A (0.38)
SCHEMBL11683196 0.64 ALDH1A1 (0.42) KDM4EALDH1A1LMNAHPGDMAT2A
SCHEMBL432772 0.62 CHEK1 (0.36)
SCHEMBL3235806 0.61 NOS1 (0.31)
SCHEMBL355917 0.61 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHPGD

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 135 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
WO-1998058057-A9 COMPOSITIONS INDUCING CLEAVAGE OF RNA MOTIFS INNOVIR LAB INC (US) 1999-04-08 WO claimed
WO-1998058057-A1 COMPOSITIONS INDUCING CLEAVAGE OF RNA MOTIFS INNOVIR LABORATORIES, INC. (US) 1998-12-23 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-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
US-20020161209-A1 Compositions inducing cleavage of RNA motifs RIBOZYME PHARMACEUTICALS, INC. 2002-10-31 US 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 KDM4E 4097/4885ALDH1A1 1745/4885LMNA 56/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 KDM4E 2088/4885ALDH1A1 2907/4885LMNA 3167/4885
US-20020161209-A1 Compositions inducing cleavage of RNA motifs NSUN2, NSUN3, RNGTT KDM4E 3331/4885ALDH1A1 4319/4885LMNA 892/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 KDM4E 3864/4885ALDH1A1 3911/4885LMNA 747/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 KDM4E 3864/4885ALDH1A1 3911/4885LMNA 747/4885
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 4650/4885ALDH1A1 1587/4885LMNA 295/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 KDM4E 4097/4885ALDH1A1 1745/4885LMNA 56/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 KDM4E 3196/4885ALDH1A1 1923/4885LMNA 111/4885

“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.