Sugi Predict

Sugi Predict / Compounds / SCHEMBL9953219

SCHEMBL9953219

SCHEMBL9953219

O=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.44
▸ MAPK10 P53779 11/20 0.43
▸ MAPK8 P45983 7/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ FLT3 P36888 6/20 0.42
▸ BMPR1B O00238 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ STK25 O00506 1/20 0.42
▸ CIT O14578 1/20 0.42
▸ RIOK3 O14730 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ MUSK O15146 1/20 0.42
▸ EPHB6 O15197 1/20 0.42

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
SCHEMBL9953437 0.94 MGLL (0.41) MGLLMAPK10MAPK8ALDH1A1MAPT
SCHEMBL10194958 0.90 MAP2K4 (0.41) MGLLMAPK10MAPK8ALDH1A1MAPT
SCHEMBL10194782 0.90 MAPK10 (0.53) MAPK10MAPK8ALDH1A1MAPTFLT3
SCHEMBL10194974 0.90 IDO1 (0.45) MGLLMAPK10MAPK8ALDH1A1MAPT
SCHEMBL10195546 0.90 MAPK10 (0.43) MGLLMAPK10MAPK8ALDH1A1MAPT
SCHEMBL10195701 0.89 FLT3 (0.53) MAPK10MAPK8ALDH1A1MAPTFLT3
SCHEMBL10194945 0.89 L3MBTL3 (0.49) MGLLMAPK10MAPK8ALDH1A1MAPT
SCHEMBL10195582 0.89 L3MBTL3 (0.49) MAPK10ALDH1A1ABL1FGFR1FLT1
SCHEMBL9953312 0.89 MAPK10 (0.42) MGLLMAPK10MAPK8ALDH1A1MAPT
SCHEMBL9952332 0.89 MAPK10 (0.42) MGLLMAPK10MAPK8ALDH1A1MAPT

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
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
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 MGLL 4037/4885MAPK10 1774/4885MAPK8 1091/4885

“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.