SCHEMBL10195045

SCHEMBL10195045

CN(C)C1CCN(C(=O)c2ccc(-n3cc(-c4n[nH]c5ccc(C6=CCOCC6)cc45)nn3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
JAK2 O60674 1/20 0.40
FLT3 P36888 2/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
ATR Q13535 4/20 0.37
LRRK2 Q5S007 3/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
HDAC4 P56524 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3C2B O00750 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
MGLL Q99685 1/20 0.36
EIF4E P06730 1/20 0.35
KCNH2 Q12809 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
SCHEMBL10195040 0.89 TLR9 (0.41) JAK2FLT3TLR9TLR8TLR7
SCHEMBL10195036 0.89 TLR9 (0.40) JAK2FLT3TLR9TLR8TLR7
SCHEMBL10194795 0.84 JAK2 (0.44) GSK3BJAK2FLT3LRRK2PIK3CA
SCHEMBL10196691 0.83 FLT3 (0.43) JAK2FLT3TLR9TLR8TLR7
SCHEMBL9952532 0.83 L3MBTL3 (0.45) FLT3TLR9TLR8TLR7L3MBTL3
SCHEMBL10194756 0.83 L3MBTL3 (0.45) FLT3TLR9TLR8TLR7L3MBTL3
SCHEMBL10194945 0.82 L3MBTL3 (0.49) JAK2FLT3TLR9TLR8TLR7
SCHEMBL10194758 0.81 ATR (0.46) FLT3TLR9TLR8TLR7L3MBTL3
SCHEMBL10194700 0.81 L3MBTL3 (0.43) FLT3TLR9TLR8TLR7L3MBTL3
SCHEMBL10194969 0.80 JAK2 (0.48) JAK2FLT3LRRK2

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 6 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-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 GSK3B 829/4885JAK2 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.