Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952386

SCHEMBL9952386

SCHEMBL9952386

CC(C)(C)OC(=O)n1nc(C#C[Si](C)(C)C)c2cc(CO)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.37
▸ GABRA5 P31644 4/20 0.36
▸ GABRA1 P14867 3/20 0.36
▸ GABRG2 P18507 3/20 0.33
▸ GABRB3 P28472 3/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ NR1H2 P55055 5/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ EEF2K O00418 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ PRKX P51817 1/20 0.31
▸ NEK4 P51957 1/20 0.31

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
SCHEMBL9951676 0.85 GABRG2 (0.39) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL9951691 0.85 MAP2K4 (0.38) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL4287763 0.84 ELANE (0.38) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL9952439 0.84 KDM4E (0.37) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9951907 0.82 ELANE (0.41) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL1456724 0.81 ELANE (0.46) MAP2K4GABRA5GABRA1ALDH1A1MAPT
SCHEMBL9951686 0.79 MAP2K4 (0.40) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL13375156 0.77 MAP2K4 (0.39) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL9952316 0.77 NAMPT (0.42) GPR119KDM4EMAPT
SCHEMBL22345510 0.76 MAP2K4 (0.47) MAP2K4GABRA5GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 — — EP disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — 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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 MAP2K4 3270/4885GABRA5 1727/4885GABRA1 1803/4885

“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.