SCHEMBL2551033

SCHEMBL2551033

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2cc(S(C)(=O)=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 12/20 0.41
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RIPK2 O43353 1/20 0.36
▸ SLC2A1 P11166 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL14576006 0.93 PTGER4 (0.50) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14576934 0.90 PTGER4 (0.39) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12284289 0.89 PTGER4 (0.35) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14576018 0.89 SMN1; SMN2 (0.43) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14576141 0.88 IKBKB (0.40) PTGER4SMN1; SMN2
SCHEMBL2552453 0.87 USP2 (0.40) PTGER4KDM4EALDH1A1HPGDGAA
SCHEMBL2552155 0.87 PTGER4 (0.47) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2555588 0.86 HPGD (0.49) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2550896 0.85 PTGER4 (0.51) PTGER4RIPK2
SCHEMBL14642705 0.85 RIPK2 (0.51) PTGER4KDM4EALDH1A1HPGDSMN1; SMN2

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 4 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
EP-2552208-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 — — EP 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 3190/4885KDM4E 764/4885ALDH1A1 2664/4885

“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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