Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952316

SCHEMBL9952316

SCHEMBL9952316

CC(C)(C)OC(=O)N1CCC(c2ccc3c(c2)c(C#C[Si](C)(C)C)nn3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ THRB P10828 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ RET P07949 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ IGF1R P08069 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ WNT3A P56704 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL28019560 0.88 NAMPT (0.42) NAMPTPDE4BTHRBKDM4EMAPT
SCHEMBL9951755 0.82 KDM4E (0.47) NAMPTPDE4BTHRBKDM4EMAPT
SCHEMBL9951691 0.80 MAP2K4 (0.38) GPR119
SCHEMBL4287763 0.79 ELANE (0.38) USP30GAASMN1; SMN2
SCHEMBL12378796 0.78 NAMPT (0.53) NAMPTPDE4BTHRBKDM4EMAPT
Tert-Butyl Formate SCHEMBL28019561 0.78 CNR1 (0.42) NAMPTPDE4BTHRBKDM4EMAPT
SCHEMBL9952386 0.77 MAP2K4 (0.37) KDM4EMAPTGPR119
SCHEMBL9952716 0.77 KDM4E (0.46) NAMPTPDE4BTHRBKDM4EMAPT
SCHEMBL9951907 0.76 ELANE (0.41) —
SCHEMBL1456724 0.75 ELANE (0.46) MAPT

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 8 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
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
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 NAMPT 1608/4885PDE4B 1895/4885THRB 794/4885

“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.