SCHEMBL10194758

SCHEMBL10194758

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
MAP2K4 P45985 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
STAT3 P40763 1/20 0.42
HDAC4 P56524 1/20 0.41
BRAF P15056 1/20 0.41
MAPK10 P53779 8/20 0.41
OPRD1 P41143 2/20 0.41
P2RY14 Q15391 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAPK8 P45983 5/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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) ATRL3MBTL3HDAC4MAPK10MAPK8
SCHEMBL9952532 0.89 L3MBTL3 (0.45) ATRL3MBTL3HDAC4MAPK10MAPK8
SCHEMBL10194945 0.87 L3MBTL3 (0.49) ATRMAP2K4L3MBTL3MAPK6MAPK10
SCHEMBL10194754 0.87 JAK2 (0.47) MAP2K4MAPK1MAPKAPK3MAPK6STAT3
SCHEMBL10194700 0.86 L3MBTL3 (0.43) ATRL3MBTL3HDAC4OPRD1P2RY14
SCHEMBL9951745 0.86 L3MBTL3 (0.42) ATRMAP2K4L3MBTL3MAPK6HDAC4
SCHEMBL10196690 0.86 L3MBTL3 (0.42) ATRL3MBTL3OPRD1P2RY14SIGMAR1
SCHEMBL10195492 0.85 L3MBTL3 (0.41) ATRL3MBTL3STAT3MAPK10MAPK8
SCHEMBL10196691 0.84 FLT3 (0.43) ATRL3MBTL3TLR9TLR8TLR7
SCHEMBL10195040 0.83 TLR9 (0.41) ATRL3MBTL3HDAC4TLR9TLR8

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 ATR 3835/4885MAP2K4 3270/4885L3MBTL3 4428/4885

“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.