SCHEMBL10195709

SCHEMBL10195709

CN(C)C(=O)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.49
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
MAP2K4 P45985 2/20 0.44
GAA P10253 1/20 0.43
ITK Q08881 5/20 0.42
GRM4 Q14833 1/20 0.42
CDC7 O00311 1/20 0.41
MAPK1 P28482 2/20 0.39
MIF P14174 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 1/20 0.39
LRRK2 Q5S007 1/20 0.39
OGT O15294 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9951937 0.86 MAP2K4 (0.61) MAP2K4GAAITKGRM4CDC7
SCHEMBL27945220 0.85 MAP2K4 (0.47) MAP2K4GAAITKGRM4CDC7
SCHEMBL10195025 0.84 FLT3 (0.51) FLT3MAP2K4ITKGRM4MAPK1
SCHEMBL10194706 0.84 TGFBR1 (0.41) MAP2K4ITKLRRK2
SCHEMBL10194955 0.83 CDK4 (0.46) ITKMAPK1
SCHEMBL10194809 0.82 ALDH1A1 (0.40) MAP2K4ITKGRM4CDC7MAPK1
SCHEMBL9953228 0.82 NPC1 (0.39) FLT3ITKCDC7MIFRAB9A
SCHEMBL10195022 0.82 MAPK8 (0.48) FLT3MAP2K4ITKGRM4CDC7
SCHEMBL10194782 0.81 MAPK10 (0.53) FLT3MAP2K4ITKMAPK6ALDH1A1
SCHEMBL10194945 0.80 L3MBTL3 (0.49) FLT3MAP2K4ITKMAPK6ALDH1A1

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 7 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-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 FLT3 282/4885NCOA1 808/4885NCOA3 442/4885

“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.