SCHEMBL2553689

SCHEMBL2553689

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2c(S(=O)(=O)Cc3ccccc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 13/20 0.36
▸ HPGD P15428 1/20 0.34
▸ CASR P41180 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAP3K11 Q16584 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32

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
SCHEMBL2551159 0.90 CASR (0.37) PTGER4HPGDCASRKDM4ERECQL
SCHEMBL14616804 0.87 RIPK2 (0.40) PTGER4HPGDCASRKDM4ERECQL
Trifluoroacetic Acid SCHEMBL14576570 0.86 PTGER4 (0.35) PTGER4HPGDCASRKDM4EALDH1A1
SCHEMBL2550186 0.85 CASR (0.39) PTGER4HPGDCASRKDM4ERECQL
SCHEMBL2553442 0.84 CASR (0.38) PTGER4HPGDCASRKDM4ERECQL
SCHEMBL2555588 0.83 HPGD (0.49) PTGER4HPGDCASRKDM4ERECQL
Trifluoroacetic Acid SCHEMBL14576622 0.81 PTGER4 (0.38) PTGER4HPGDCASR
SCHEMBL2552283 0.80 BRD4 (0.36) PTGER4CASRHSD17B10ALDH1A1
SCHEMBL14576676 0.80 KDM4E (0.37) PTGER4HPGDCASRKDM4ERECQL
SCHEMBL12284289 0.79 PTGER4 (0.35) PTGER4HPGDCASRKDM4ERECQL

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 3190/4885HPGD 3449/4885CASR 2479/4885

“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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