SCHEMBL545835

SCHEMBL545835

Cc1nc([NH])c2[nH]cnc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.41
▸ GDA Q9Y2T3 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ PDE2A O00408 2/20 0.40
▸ XDH P47989 2/20 0.40
▸ MAP3K5 Q99683 1/20 0.40
▸ CDK2 P24941 4/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PNP P00491 1/20 0.38
▸ ADORA2A P29274 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CB P42338 1/20 0.36

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
SCHEMBL29366073 0.79 PDPK1 (0.44) PDPK1GDAADORA3ADORA1XDH
SCHEMBL2877709 0.76 XDH (0.56) PDPK1GDAADORA3XDHCDK2
SCHEMBL3002433 0.76 DPP4 (0.61) PDPK1GDAADORA3ADORA1XDH
SCHEMBL19780 0.76 PDPK1 (0.66) PDPK1GDAXDHMAP3K5CDK2
SCHEMBL3857170 0.76 PDPK1 (0.41) PDPK1GDAADORA3ADORA1PDE2A
SCHEMBL29375916 0.76 PDPK1 (0.66) PDPK1GDAXDHMAP3K5CDK2
SCHEMBL1898183 0.76 GDA (0.41) PDPK1GDAADORA3ADORA1XDH
SCHEMBL2867588 0.76 PDPK1 (0.66) PDPK1GDAADORA1MAP3K5CDK2
Hydrochloric Acid SCHEMBL7736838 0.74 DPP4 (0.59) PDPK1GDAADORA3ADORA1XDH
SCHEMBL30834852 0.74 PDPK1 (0.40) PDPK1GDAADORA3ADORA1PDE2A

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 137 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 PDPK1 4009/4885GDA 824/4885ADORA3 2696/4885
US-20220403377-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PDPK1 2827/4885GDA 570/4885ADORA3 737/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 PDPK1 3389/4885GDA 2675/4885ADORA3 1676/4885
US-20050119214-A1 Nuclease resistant double-stranded ribonucleic acid RNASE1, RNASEH1, RNASEL PDPK1 3303/4885GDA 279/4885ADORA3 3276/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 PDPK1 3170/4885GDA 1748/4885ADORA3 4089/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PDPK1 2827/4885GDA 570/4885ADORA3 737/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 PDPK1 3170/4885GDA 1748/4885ADORA3 4089/4885
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 2395/4885GDA 203/4885ADORA3 169/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PDPK1 2827/4885GDA 570/4885ADORA3 737/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 PDPK1 4540/4885GDA 279/4885ADORA3 3666/4885

“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.

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