SCHEMBL546660

SCHEMBL546660

C=C(C)CC(O)Nc1n[c]nc2nc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CDK2 P24941 3/20 0.35
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ CCNA2 P20248 2/20 0.34
▸ CCNA1 P78396 2/20 0.34
▸ MGMT P16455 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ XDH P47989 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 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
SCHEMBL29421069 0.82 CYP1A2 (0.55) CYP1A2HIF1ASMN1; SMN2CDK2TSHR
SCHEMBL17372571 0.82 CYP1A2 (0.55) CYP1A2HIF1ASMN1; SMN2CDK2TSHR
SCHEMBL29421093 0.77 CYP1A2 (0.52) CYP1A2HIF1ASMN1; SMN2CDK2CDK1
SCHEMBL17372391 0.77 CYP1A2 (0.52) CYP1A2HIF1ASMN1; SMN2CDK2CDK1
SCHEMBL546067 0.76 HTT (0.43) CYP1A2HIF1ACDK2CDK1CCNB1
SCHEMBL546075 0.71 XDH (0.53) CYP1A2HIF1ASMN1; SMN2CDK2HTT
SCHEMBL2346676 0.65 MKNK1 (0.41) CYP1A2HIF1ASMN1; SMN2TSHRCYP3A4
SCHEMBL546926 0.64 NPC1 (0.37) CYP1A2HIF1ASMN1; SMN2TSHRHSD17B10
SCHEMBL5566830 0.63 SMN1; SMN2 (0.38) CYP1A2HIF1ASMN1; SMN2MGMTTSHR
SCHEMBL17260458 0.62 SYK (0.47) CYP1A2HIF1ASMN1; SMN2TSHRHSD17B10

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
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 CYP1A2 4404/4885HIF1A 1065/4885SMN1; SMN2 1418/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 CYP1A2 3847/4885HIF1A 1964/4885SMN1; SMN2 2665/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 CYP1A2 4588/4885HIF1A 102/4885SMN1; SMN2 715/4885
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid RNASE1, RNASEH1, RNASEL CYP1A2 4817/4885HIF1A 1525/4885SMN1; SMN2 688/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 CYP1A2 4881/4885HIF1A 376/4885SMN1; SMN2 179/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 CYP1A2 3847/4885HIF1A 1964/4885SMN1; SMN2 2665/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 CYP1A2 4881/4885HIF1A 376/4885SMN1; SMN2 179/4885
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 CYP1A2 4167/4885HIF1A 2858/4885SMN1; SMN2 2749/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 CYP1A2 3847/4885HIF1A 1964/4885SMN1; SMN2 2665/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 CYP1A2 2684/4885HIF1A 602/4885SMN1; SMN2 700/4885

“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.

Send feedback