SCHEMBL2560330

SCHEMBL2560330

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2cc(C(=O)N3CCOCC3)c(C)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ MCL1 Q07820 2/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ DYRK2 Q92630 6/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ FASN P49327 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL2567464 0.93 MCL1 (0.43) PTGER4JAK2MCL1HCRTR1HCRTR2
SCHEMBL12284170 0.90 PTGER4 (0.36) PTGER4JAK2MCL1ALOX5APHCRTR1
SCHEMBL12284363 0.90 PTGER4 (0.36) PTGER4JAK2MCL1ALOX5APHCRTR1
SCHEMBL12284849 0.88 PTGER4 (0.49) PTGER4HCRTR1HCRTR2
SCHEMBL2576435 0.86 PTGER4 (0.41) PTGER4HCRTR1HCRTR2
SCHEMBL14575880 0.85 KDM4E (0.39) PTGER4BRD4KDM4E
SCHEMBL14576203 0.82 PTGER4 (0.51) PTGER4MCL1
SCHEMBL12284289 0.81 PTGER4 (0.35) PTGER4HCRTR1HCRTR2BRD4KDM4E
SCHEMBL2552453 0.81 USP2 (0.40) PTGER4KDM4EALDH1A1GAAHPGD
SCHEMBL12283704 0.81 PTGER4 (0.49) PTGER4

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 7 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
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
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 3190/4885JAK2 95/4885MCL1 602/4885

“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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