SCHEMBL14616830

SCHEMBL14616830

COCCn1c(-c2cnc(-c3ccc4scnc4c3)[nH]2)nc2cc(S(=O)(=O)N3CCN(C)CC3)c(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.43
▸ CNR1 P21554 3/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGER4 P35408 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAP3K11 Q16584 1/20 0.33
▸ PDE5A O76074 5/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ CCNE2 O96020 2/20 0.32
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ GSK3B P49841 2/20 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
SCHEMBL14616829 0.93 CNR1 (0.45) RIPK2CNR1CNR2PTGER4
SCHEMBL14576316 0.87 MAP3K11 (0.36) CNR1CNR2TSHRMAPK1SMN1; SMN2
SCHEMBL14616828 0.85 RIPK2 (0.49) RIPK2MAPK1SMN1; SMN2PTGER4
SCHEMBL14616823 0.85 RIPK2 (0.47) RIPK2TSHRSMN1; SMN2PTGER4L3MBTL1
SCHEMBL14616822 0.83 RIPK2 (0.46) RIPK2TSHRSMN1; SMN2PTGER4L3MBTL1
SCHEMBL14616821 0.83 RIPK2 (0.46) RIPK2CNR1CNR2TSHRPTGER4
SCHEMBL14642705 0.81 RIPK2 (0.51) RIPK2SMN1; SMN2PTGER4
SCHEMBL14616831 0.80 RIPK2 (0.47) RIPK2TSHRMAPK1SMN1; SMN2PTGER4
SCHEMBL14616796 0.80 RIPK2 (0.53) RIPK2MAPK1SMN1; SMN2PTGER4
SCHEMBL14642706 0.80 PTGER4 (0.50) RIPK2PTGER4

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 2 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 disclosed
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 255/4885CNR1 2949/4885CNR2 3284/4885

“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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