Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952225

SCHEMBL9952225

SCHEMBL9952225

Cc1ccc(=O)n(Cc2ccc3[nH]nc(-c4cn(-c5ccc(C(=O)N6CCOCC6)cc5)nn4)c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.44
▸ MAPK10 P53779 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ FLT3 P36888 6/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ TDO2 P48775 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL9952385 0.89 JAK2 (0.41) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL10194694 0.89 MET (0.42) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL10194788 0.89 JAK2 (0.42) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL9952483 0.88 MAPK10 (0.45) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL10196685 0.88 MAPK10 (0.41) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL9952444 0.87 MAP2K4 (0.40) LRRK2POLBPIK3CA
SCHEMBL10194761 0.86 MET (0.39) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL10194759 0.86 JAK2 (0.40) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL10194698 0.84 MAPK10 (0.49) GAAMAPK10JAK2FLT3LRRK2
SCHEMBL10194781 0.83 JAK2 (0.49) MAPK10JAK2FLT3LRRK2KDM4E

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 11 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
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 3322/4885MAPK10 1774/4885JAK2 66/4885

“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.