SCHEMBL5546967

SCHEMBL5546967

N#Cc1ccc(Nc2nccc(C(N)=O)n2)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 7/20 0.52
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ CCNT1 O60563 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ PGGT1B P53609 1/20 0.45
▸ IKBKE Q14164 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ AURKA O14965 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
SCHEMBL5549701 0.91 XDH (0.42) XDHGSK3AGSK3BFNTAFNTB
SCHEMBL14584981 0.91 XDH (0.42) XDHGSK3AGSK3BCCNT1CCNA2
SCHEMBL5550074 0.89 CSF1R (0.43) XDHIKBKETBK1
SCHEMBL14584976 0.89 XDH (0.50) XDHGSK3AGSK3BCCNT1CCNA2
SCHEMBL14402358 0.88 XDH (0.49) XDHGSK3AGSK3BCCNT1CCNA2
SCHEMBL5544745 0.87 XDH (0.49) XDHFNTAFNTBPGGT1B
SCHEMBL13887205 0.87 XDH (0.48) XDHGSK3AGSK3BCCNT1CCNA2
SCHEMBL14584977 0.87 RXFP1 (0.44) XDHCCNA2CDK2CCNA1
SCHEMBL5546960 0.86 PKMYT1 (0.44) GSK3AGSK3BTBK1AURKA
SCHEMBL5550328 0.85 GSK3A (0.41) XDHGSK3AGSK3BIKBKETBK1

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 13 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-7183288-B2 Amide derivatives as glycogen synthase kinase 3-β inhibitors FREYNE EDDY JEAN EDGARD 2007-02-27 — — US 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
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-7183288-B2 Amide derivatives as glycogen synthase kinase 3-β inhibitors FREYNE EDDY JEAN EDGARD 2007-02-27 — — US 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 1032/4885GSK3A 2/4885GSK3B 1/4885

“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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