SCHEMBL5550158

SCHEMBL5550158

N#Cc1ccc(Nc2ccc(C(N)=O)cn2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 4/20 0.51
▸ SGMS2 Q8NHU3 1/20 0.48
▸ JAK3 P52333 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ PPIA P62937 1/20 0.45
▸ GCK P35557 1/20 0.44
▸ IKBKE Q14164 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ PGGT1B P53609 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.42
▸ HCAR3 P49019 1/20 0.42

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
SCHEMBL5545433 0.86 XDH (0.48) XDHSGMS2PPIAFNTAFNTB
SCHEMBL5544745 0.80 XDH (0.49) XDHSGMS2PPIAFNTAFNTB
SCHEMBL5545418 0.78 PPIA (0.49) PPIAFNTAFNTBPGGT1B
SCHEMBL5546967 0.77 XDH (0.52) XDHIKBKETBK1FNTAFNTB
SCHEMBL5551550 0.76 XDH (0.46) XDHPPIAFNTAFNTBPGGT1B
SCHEMBL551997 0.74 FNTA (0.53) XDHSGMS2FNTAFNTBPGGT1B
SCHEMBL13887201 0.74 C5AR1 (0.51) XDHFNTAFNTBPGGT1B
SCHEMBL8143434 0.72 HPGD (0.54) XDH
SCHEMBL579571 0.72 OPRM1 (0.61) JAK3IRAK4HCAR3
SCHEMBL14607583 0.72 HCAR3 (0.76) JAK3IRAK4HCAR3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442019-B1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-10-10 — — EP claimed
US-20050176713-A1 Amide derivatives as glycogen synthase kinase 3-beta inhibitors FREYNE EDDY JEAN E (BE) 2005-08-11 — — US claimed
EP-1442019-A1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-04 — — EP claimed
WO-2003037869-A1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 — — WO claimed
EP-1442019-B1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-10-10 — — EP disclosed
US-7183288-B2 Amide derivatives as glycogen synthase kinase 3-β inhibitors FREYNE EDDY JEAN EDGARD 2007-02-27 — — US disclosed
US-20050176713-A1 Amide derivatives as glycogen synthase kinase 3-beta inhibitors FREYNE EDDY JEAN E (BE) 2005-08-11 — — US disclosed
EP-1442019-A1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-04 — — EP disclosed
WO-2003037869-A1 AMIDE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3-BETA INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 — — 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 (1 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-20050176713-A1 Amide derivatives as glycogen synthase kinase 3-beta inhibitors GSK3B, GSK3A, PHKG1 XDH 1032/4885SGMS2 2967/4885JAK3 1419/4885

“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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