SCHEMBL2552453

SCHEMBL2552453

COCCn1c(-c2c[nH]c(-c3ccc4scnc4c3)n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ GAA P10253 3/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ PTGER4 P35408 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ HTT P42858 3/20 0.38
▸ HK1 P19367 1/20 0.38
▸ HKDC1 Q2TB90 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL14576018 0.94 SMN1; SMN2 (0.43) TSHRIKBKBALDH1A1PTGER4NPSR1
SCHEMBL14576141 0.92 IKBKB (0.40) TSHRIKBKBCHUKPTGER4LMNA
SCHEMBL14575880 0.90 KDM4E (0.39) IKBKBCHUKKMT2AMEN1PTGER4
SCHEMBL2551033 0.87 PTGER4 (0.41) ALDH1A1GAAPTGER4NPSR1HPGD
SCHEMBL14616821 0.87 RIPK2 (0.46) USP2TSHRIKBKBCHUKALDH1A1
SCHEMBL14576006 0.87 PTGER4 (0.50) ALDH1A1KMT2AMEN1PTGER4NPSR1
SCHEMBL14576934 0.84 PTGER4 (0.39) ALDH1A1GAAPTGER4LMNANPC1
SCHEMBL14576316 0.83 MAP3K11 (0.36) TSHRPTGER4NPSR1LMNA
SCHEMBL2560330 0.81 PTGER4 (0.44) ALDH1A1GAAPTGER4HPGDHSD17B10
SCHEMBL2552155 0.81 PTGER4 (0.47) ALDH1A1PTGER4HPGDHSD17B10KDM4E

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 USP2 2788/4885TSHR 669/4885IKBKB 233/4885

“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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