SCHEMBL12286944

SCHEMBL12286944

CNC(=O)c1ccc2c(c1)nc(-c1c[nH]c(-c3ccc4scnc4c3)n1)n2CCOC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 18/20 0.51
▸ RIPK2 O43353 1/20 0.46
▸ WNT1 P04628 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL2552835 0.93 PTGER4 (0.50) PTGER4RIPK2
SCHEMBL2550896 0.92 PTGER4 (0.51) PTGER4RIPK2
SCHEMBL12286159 0.90 PTGER4 (0.51) PTGER4RIPK2
SCHEMBL12283818 0.87 NPC1 (0.43) PTGER4RIPK2WNT1GSK3BDYRK1A
SCHEMBL12283704 0.86 PTGER4 (0.49) PTGER4
SCHEMBL14576508 0.85 PTGER4 (0.37) PTGER4RIPK2
SCHEMBL2552155 0.85 PTGER4 (0.47) PTGER4RIPK2
SCHEMBL12284849 0.85 PTGER4 (0.49) PTGER4RIPK2
SCHEMBL2551421 0.85 PTGER4 (0.44) PTGER4RIPK2
SCHEMBL12286266 0.85 PTGER4 (0.53) PTGER4RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US claimed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US disclosed
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — US disclosed
WO-2011123609-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-10-06 — — 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-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K3 PTGER4 3190/4885RIPK2 255/4885WNT1 3713/4885

“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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