Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952483

SCHEMBL9952483

SCHEMBL9952483

O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(Cn5ncccc5=O)cc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 3/20 0.45
▸ GAA P10253 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ TDO2 P48775 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ FLT3 P36888 6/20 0.41
▸ PIK3CA P42336 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ ROCK1 Q13464 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ MAPK8 P45983 1/20 0.36

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
SCHEMBL9952225 0.88 GAA (0.44) MAPK10GAAIDO1TDO2JAK2
SCHEMBL10196685 0.88 MAPK10 (0.41) MAPK10GAAIDO1TDO2JAK2
SCHEMBL9952385 0.86 JAK2 (0.41) MAPK10GAAIDO1TDO2JAK2
SCHEMBL10194694 0.86 MET (0.42) MAPK10GAAIDO1TDO2JAK2
SCHEMBL10194788 0.86 JAK2 (0.42) MAPK10GAAIDO1TDO2JAK2
SCHEMBL10194698 0.86 MAPK10 (0.49) MAPK10GAAJAK2FLT3PIK3CA
SCHEMBL10194932 0.84 MAPK10 (0.45) MAPK10GAAJAK2FLT3LRRK2
SCHEMBL10194761 0.83 MET (0.39) MAPK10GAAIDO1TDO2JAK2
SCHEMBL10194759 0.83 JAK2 (0.40) MAPK10GAAIDO1TDO2JAK2
SCHEMBL10194763 0.81 JAK2 (0.50) MAPK10JAK2FLT3PIK3CAALDH1A1

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 MAPK10 1774/4885GAA 3322/4885IDO1 96/4885

“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.