SCHEMBL9951745

SCHEMBL9951745

CC(C)=Cc1ccc2[nH]nc(-c3cn(-c4ccc(C(=O)N5CCC(N(C)C)CC5)cc4)nn3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.42
LRRK2 Q5S007 7/20 0.41
FLT3 P36888 3/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATR Q13535 4/20 0.37
MGLL Q99685 1/20 0.36
BMPR1B O00238 1/20 0.35
PLK4 O00444 1/20 0.35
STK25 O00506 1/20 0.35
CIT O14578 1/20 0.35
RIOK3 O14730 1/20 0.35
CHEK1 O14757 1/20 0.35
IKBKB O14920 1/20 0.35
AURKA O14965 1/20 0.35
GAK O14976 1/20 0.35
DCLK1 O15075 1/20 0.35
CHUK O15111 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
SCHEMBL10194756 0.87 L3MBTL3 (0.45) L3MBTL3FLT3TLR9TLR8TLR7
SCHEMBL9952532 0.87 L3MBTL3 (0.45) L3MBTL3FLT3TLR9TLR8TLR7
SCHEMBL10194945 0.86 L3MBTL3 (0.49) L3MBTL3LRRK2FLT3TLR9TLR8
SCHEMBL10194758 0.86 ATR (0.46) L3MBTL3FLT3TLR9TLR8TLR7
SCHEMBL10194700 0.85 L3MBTL3 (0.43) L3MBTL3FLT3TLR9TLR8TLR7
SCHEMBL10196690 0.84 L3MBTL3 (0.42) L3MBTL3FLT3TLR9TLR8TLR7
SCHEMBL10195492 0.84 L3MBTL3 (0.41) L3MBTL3LRRK2FLT3TLR9TLR8
SCHEMBL10196691 0.83 FLT3 (0.43) L3MBTL3LRRK2FLT3TLR9TLR8
SCHEMBL10195040 0.82 TLR9 (0.41) L3MBTL3LRRK2FLT3TLR9TLR8
SCHEMBL10195036 0.81 TLR9 (0.40) L3MBTL3LRRK2FLT3TLR9TLR8

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 4428/4885LRRK2 2651/4885FLT3 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.