Sugi Predict

Sugi Predict / Compounds / SCHEMBL9951874

SCHEMBL9951874

SCHEMBL9951874

CC(C)(C)OC(=O)n1nc(-c2cn(-c3ccc(C(=O)N4CCOCC4)cc3)nn2)c2cc(Cn3nc(Cl)ccc3=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ IDO1 P14902 2/20 0.37
▸ TDO2 P48775 2/20 0.37
▸ GRM1 Q13255 4/20 0.35
▸ GRM5 P41594 3/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GPR119 Q8TDV5 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ RARG P13631 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ AR P10275 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL9952705 0.90 GAA (0.38) GAAIDO1TDO2GRM1GRM5
SCHEMBL9952570 0.87 GRM1 (0.40) GAAGRM1GRM5GPR119ALDH1A1
SCHEMBL10195459 0.77 MEN1 (0.46) GRM1
SCHEMBL9952225 0.74 GAA (0.44) GAAIDO1TDO2CYP3A4CYP2C19
SCHEMBL9951756 0.74 HPGD (0.47) GAAIDO1TDO2ALDH1A1USP2
SCHEMBL9952668 0.73 RAB9A (0.46) IDO1TDO2ALDH1A1STAT3RAB9A
SCHEMBL9952513 0.72 RAB9A (0.45) GAAIDO1TDO2ALDH1A1STAT3
SCHEMBL9951836 0.72 GRM1 (0.38) GRM1GRM5GPR119PKM
SCHEMBL9952385 0.71 JAK2 (0.41) GAAIDO1TDO2CYP3A4CYP2C19
SCHEMBL10194694 0.71 MET (0.42) GAAIDO1TDO2ALDH1A1STAT3

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 GAA 3322/4885IDO1 96/4885TDO2 2415/4885

“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.