Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952570

SCHEMBL9952570

SCHEMBL9952570

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 5/20 0.40
▸ GRM5 P41594 4/20 0.40
▸ GPR119 Q8TDV5 3/20 0.38
▸ HPGD P15428 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ RARG P13631 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ APC P25054 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAP2K4 P45985 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
SCHEMBL9951874 0.87 GAA (0.41) GRM1GRM5GPR119ALDH1A1RAB9A
SCHEMBL9952705 0.87 GAA (0.38) GRM1GRM5GPR119ALDH1A1JAK2
SCHEMBL10196860 0.79 CNR2 (0.35) HPGDALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9951836 0.78 GRM1 (0.38) GRM1GRM5GPR119SMN1; SMN2MAP2K4
SCHEMBL10194698 0.77 MAPK10 (0.49) HPGDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL10194789 0.75 MAPK10 (0.47) HPGDALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL9952698 0.75 FLT3 (0.41) GRM1GRM5GPR119JAK2GAA
SCHEMBL9952464 0.74 GRM1 (0.42) GRM1GRM5GPR119MAPTKDM4E
SCHEMBL9952513 0.74 RAB9A (0.45) HPGDALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL9951756 0.74 HPGD (0.47) HPGDALDH1A1SMN1; SMN2RAB9AMAPT

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 GRM1 3003/4885GRM5 2465/4885GPR119 305/4885

“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.