SCHEMBL9952532

SCHEMBL9952532

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
TLR9 Q9NR96 3/20 0.40
TLR7 Q9NYK1 3/20 0.40
TLR8 Q9NR97 2/20 0.40
FLT3 P36888 2/20 0.40
ATR Q13535 4/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK8 P45983 3/20 0.38
MAPK10 P53779 3/20 0.38
AXL P30530 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
HDAC4 P56524 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
SCHEMBL10194756 0.90 L3MBTL3 (0.45) L3MBTL3L3MBTL1TLR9TLR7TLR8
SCHEMBL10194945 0.89 L3MBTL3 (0.49) L3MBTL3L3MBTL1TLR9TLR7TLR8
SCHEMBL10194758 0.89 ATR (0.46) L3MBTL3TLR9TLR7TLR8FLT3
SCHEMBL10194700 0.88 L3MBTL3 (0.43) L3MBTL3L3MBTL1TLR9TLR7TLR8
SCHEMBL10196690 0.87 L3MBTL3 (0.42) L3MBTL3L3MBTL1TLR9TLR7TLR8
SCHEMBL9951745 0.87 L3MBTL3 (0.42) L3MBTL3L3MBTL1TLR9TLR7TLR8
SCHEMBL10195492 0.86 L3MBTL3 (0.41) L3MBTL3L3MBTL1TLR9TLR7TLR8
SCHEMBL10196691 0.86 FLT3 (0.43) L3MBTL3L3MBTL1TLR9TLR7TLR8
SCHEMBL9951916 0.85 JAK2 (0.49) L3MBTL1FLT3ABL1BCRMAPK8
SCHEMBL10195040 0.84 TLR9 (0.41) L3MBTL3L3MBTL1TLR9TLR7TLR8

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 L3MBTL3 4428/4885L3MBTL1 4489/4885TLR9 192/4885

“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.