Sugi Predict

Sugi Predict / Compounds / SCHEMBL10196860

SCHEMBL10196860

SCHEMBL10196860

O=C(c1ccc(-n2cc(-c3nn(C4CCCCO4)c4ccc(CO)cc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ HRH3 Q9Y5N1 3/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ MAPK10 P53779 1/20 0.33
▸ AR P10275 1/20 0.33
▸ APC P25054 1/20 0.33

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
SCHEMBL10194746 0.89 PIK3CA (0.38) CNR2CD274CNR1HPGDALDH1A1
SCHEMBL9952048 0.84 EGFR (0.34) CNR2CD274CNR1EGFRHPGD
SCHEMBL15312505 0.84 HRH3 (0.36) CNR2CD274CNR1EGFRHTT
SCHEMBL9952570 0.79 GRM1 (0.40) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL10194698 0.77 MAPK10 (0.49) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL10194789 0.75 MAPK10 (0.47) GAAHPGDKDM4EALDH1A1MAPT
SCHEMBL10196929 0.73 CREBBP (0.39) EGFRPIK3CAHRH3RAB9A
SCHEMBL10194816 0.71 JAK2 (0.49) MAPK14MAPK10
SCHEMBL9951756 0.71 HPGD (0.47) CNR2CNR1GAAHPGDKDM4E
SCHEMBL10195810 0.70 FLT3 (0.49) GAAMAPK10

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 9 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
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 CNR2 2221/4885CD274 1153/4885CNR1 2927/4885

“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.