Sugi Predict

Sugi Predict / Compounds / SCHEMBL9951907

SCHEMBL9951907

SCHEMBL9951907

CC(C)(C)OC(=O)n1nc(C#C[Si](C)(C)C)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.41
▸ MAP2K4 P45985 1/20 0.40
▸ F2 P00734 4/20 0.39
▸ PLAU P00749 4/20 0.39
▸ CTRB1 P17538 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ GABRA1 P14867 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA3 P34903 1/20 0.34

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
SCHEMBL9951691 0.84 MAP2K4 (0.38) ELANEMAP2K4F2PLAUCTRB1
SCHEMBL4287763 0.83 ELANE (0.38) ELANEMAP2K4UCHL1GABRA1GABRA5
SCHEMBL31134123 0.82 MAP2K4 (0.47) MAP2K4UCHL1GABRA1GABRA5GABRG2
SCHEMBL22345510 0.82 MAP2K4 (0.47) MAP2K4UCHL1GABRA1GABRA5GABRG2
SCHEMBL9952386 0.82 MAP2K4 (0.37) MAP2K4UCHL1GABRA1GABRA5GABRG2
SCHEMBL1456724 0.80 ELANE (0.46) ELANEMAP2K4F2PLAUCTRB1
SCHEMBL2674135 0.79 MAP2K4 (0.44) ELANEMAP2K4F2PLAUCHRM2
SCHEMBL8216089 0.77 ELANE (0.52) ELANEMAP2K4F2PLAUCHRM2
SCHEMBL29952099 0.76 MAP2K4 (0.43) ELANEMAP2K4F2PLAUCHRM2
SCHEMBL9952316 0.76 NAMPT (0.42) —

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 ELANE 267/4885MAP2K4 3270/4885F2 1989/4885

“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.