Sugi Predict

Sugi Predict / Compounds / SCHEMBL10194698

SCHEMBL10194698

SCHEMBL10194698

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ FLT3 P36888 7/20 0.46
▸ MAPK14 Q16539 1/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ LRRK2 Q5S007 5/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL10194789 0.93 MAPK10 (0.47) MAPK10JAK2FLT3MAPK14CCNC
SCHEMBL10194763 0.88 JAK2 (0.50) MAPK10JAK2FLT3MAPK14LRRK2
SCHEMBL10194816 0.88 JAK2 (0.49) MAPK10JAK2FLT3MAPK14CCNC
SCHEMBL10194932 0.88 MAPK10 (0.45) MAPK10JAK2FLT3MAPK14LRRK2
SCHEMBL10194757 0.88 JAK2 (0.49) MAPK10JAK2FLT3MAPK14LRRK2
SCHEMBL10194764 0.88 JAK2 (0.49) MAPK10JAK2FLT3LRRK2PIK3CA
SCHEMBL10194781 0.88 JAK2 (0.49) MAPK10JAK2FLT3LRRK2PIK3CA
SCHEMBL9951916 0.88 JAK2 (0.49) MAPK10JAK2FLT3LRRK2PIK3CA
SCHEMBL10195810 0.87 FLT3 (0.49) MAPK10JAK2FLT3LRRK2GAA
Hydrochloric Acid SCHEMBL9958483 0.86 FLT3 (0.48) MAPK10JAK2FLT3LRRK2GAA

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 MAPK10 1774/4885JAK2 66/4885FLT3 282/4885

“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.