Sugi Predict

Sugi Predict / Compounds / SCHEMBL4486598

SCHEMBL4486598

SCHEMBL4486598

COc1cc(-n2nc(C(C)(C)C)cc2N)ccc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.39
▸ MAPK12 P53778 6/20 0.36
▸ MAPK14 Q16539 6/20 0.36
▸ MAPK13 O15264 5/20 0.36
▸ MAPK11 Q15759 5/20 0.36
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ CDK8 P49336 1/20 0.35
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ DDR2 Q16832 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL14656366 0.81 PTGS2 (0.42) RIPK2MAPK12MAPK14MAPK13MAPK11
SCHEMBL3185297 0.81 MAPK14 (0.42) RIPK2MAPK12MAPK14MAPK13MAPK11
SCHEMBL3175373 0.80 LMNA (0.39) RIPK2MAPK12MAPK14MAPK13MAPK11
SCHEMBL14688114 0.78 ALDH1A1 (0.49) RIPK2MAPK12MAPK14MAPK13MAPK11
SCHEMBL13296472 0.77 CDK8 (0.46) RIPK2MAPK12MAPK14MAPK13MAPK11
SCHEMBL2084331 0.77 MAPK14 (0.40) MAPK12MAPK14MAPK13MAPK11GRN
SCHEMBL14688241 0.76 RIPK2 (0.44) RIPK2CDK8PTGS2ALDH1A1KDM4E
SCHEMBL14656501 0.75 RIPK2 (0.43) RIPK2MAPK12MAPK14MAPK13MAPK11
SCHEMBL14656416 0.74 RIPK2 (0.35) RIPK2MAPK12MAPK14MAPK13MAPK11
SCHEMBL13532214 0.74 MEN1 (0.46) RIPK2MAPK12MAPK14MAPK13MAPK11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 — — US disclosed
US-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 — — US disclosed
US-20080132506-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-06-05 — — US disclosed
US-20080064688-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-03-13 — — US disclosed
US-20080045531-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2008-02-21 — — US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 — — 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 (4 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-20080064688-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF RIPK2 463/4885MAPK12 77/4885MAPK14 56/4885
US-20080045531-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF RIPK2 463/4885MAPK12 77/4885MAPK14 56/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 RIPK2 121/4885MAPK12 37/4885MAPK14 29/4885
US-20080132506-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF RIPK2 463/4885MAPK12 77/4885MAPK14 56/4885

“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.