Sugi Predict

Sugi Predict / Compounds / SCHEMBL9951691

SCHEMBL9951691

SCHEMBL9951691

Cc1ccc2c(c1)c(C#C[Si](C)(C)C)nn2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.38
▸ GABRA5 P31644 6/20 0.38
▸ GABRA1 P14867 5/20 0.38
▸ ELANE P08246 5/20 0.35
▸ GABRG2 P18507 5/20 0.35
▸ GABRB3 P28472 5/20 0.35
▸ GABRA2 P47869 4/20 0.35
▸ GABRA6 Q16445 4/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ F2 P00734 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ CTRB1 P17538 1/20 0.34
▸ UCHL1 P09936 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ GABRA4 P48169 2/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL4287763 0.87 ELANE (0.38) MAP2K4GABRA5GABRA1ELANEGABRG2
SCHEMBL9952386 0.85 MAP2K4 (0.37) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL9951907 0.84 ELANE (0.41) MAP2K4GABRA5GABRA1ELANEGABRG2
SCHEMBL15312268 0.84 GABRG2 (0.41) MAP2K4GABRA5GABRA1ELANEGABRG2
SCHEMBL1456724 0.84 ELANE (0.46) MAP2K4GABRA5GABRA1ELANEF2
SCHEMBL9953110 0.83 ELANE (0.38) ELANEF2PLAUCTRB1LMNA
SCHEMBL15724312 0.80 ELANE (0.44) MAP2K4GABRA5GABRA1ELANEGABRG2
SCHEMBL9952316 0.80 NAMPT (0.42) GPR119
SCHEMBL31134123 0.79 MAP2K4 (0.47) MAP2K4GABRA5GABRA1GABRG2GABRB3
SCHEMBL22345510 0.79 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.