SCHEMBL14616798

SCHEMBL14616798

COCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2cc(N[SH](=O)=O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.51
▸ PTGER4 P35408 14/20 0.38
▸ TRPM5 Q9NZQ8 1/20 0.35
▸ 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
▸ HPGD P15428 1/20 0.33
▸ SYK P43405 1/20 0.33

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
SCHEMBL14616796 0.87 RIPK2 (0.53) RIPK2PTGER4KDM4ERECQLHSD17B10
SCHEMBL14616799 0.85 RIPK2 (0.51) RIPK2PTGER4KDM4ERECQLHSD17B10
SCHEMBL14642981 0.85 RIPK2 (0.62) RIPK2PTGER4KDM4E
SCHEMBL14616801 0.84 RIPK2 (0.49) RIPK2PTGER4KDM4ERECQLHSD17B10
SCHEMBL14642705 0.84 RIPK2 (0.51) RIPK2PTGER4KDM4ERECQLHSD17B10
SCHEMBL14642983 0.84 RIPK2 (0.60) RIPK2PTGER4
SCHEMBL14616797 0.84 RIPK2 (0.52) RIPK2PTGER4KDM4ERECQLHSD17B10
SCHEMBL14642706 0.83 PTGER4 (0.50) RIPK2PTGER4KDM4ERECQLHSD17B10
SCHEMBL14642857 0.83 RIPK2 (0.49) RIPK2PTGER4KDM4ERECQLHSD17B10
SCHEMBL14616827 0.82 RIPK2 (0.53) RIPK2PTGER4KDM4EALDH1A1SMN1; 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 1 patent. 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 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 RIPK2 255/4885PTGER4 3190/4885TRPM5 3852/4885

“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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