SCHEMBL546891

SCHEMBL546891

C[N]c1nc(SC)nc2nc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSP90AB1 P08238 3/20 0.48
▸ MAP3K5 Q99683 1/20 0.45
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDPK1 O15530 1/20 0.36
▸ GDA Q9Y2T3 1/20 0.36
▸ XDH P47989 2/20 0.35
▸ CDK2 P24941 3/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PNP P00491 1/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCNA2 P20248 2/20 0.33
▸ CCNA1 P78396 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL29728815 0.76 PDPK1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL9351658 0.76 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL258583 0.76 PDPK1 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL31527929 0.76 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL639898 0.76 DPP4 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL545975 0.75 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL30834788 0.75 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL17372399 0.73 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL31012324 0.73 CYP2C19 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL1524259 0.73 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1

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 118 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
EP-1615611-A2 iRNA CONJUGATES Alnylam Pharmaceuticals Inc. (US) 2006-01-18 — — EP 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
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 (7 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 CYP1A2 3847/4885CYP3A4 4431/4885CYP2D6 4585/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 CYP1A2 4588/4885CYP3A4 4528/4885CYP2D6 3512/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 CYP1A2 4881/4885CYP3A4 4883/4885CYP2D6 4865/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 CYP1A2 3847/4885CYP3A4 4431/4885CYP2D6 4585/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 CYP1A2 4881/4885CYP3A4 4883/4885CYP2D6 4865/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 CYP1A2 3847/4885CYP3A4 4431/4885CYP2D6 4585/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 CYP1A2 2684/4885CYP3A4 3594/4885CYP2D6 3588/4885

“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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