SCHEMBL10194756

SCHEMBL10194756

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.45
MAPK14 Q16539 1/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
RBP4 P02753 1/20 0.41
ATR Q13535 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FLT3 P36888 1/20 0.40
HDAC4 P56524 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK10 P53779 2/20 0.38
MAPK8 P45983 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL10194758 0.90 ATR (0.46) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL9952532 0.90 L3MBTL3 (0.45) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL10194945 0.89 L3MBTL3 (0.49) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL17850421 0.88 MAPK14 (0.41) MAPK14RBP4FLT3ABL1BCR
SCHEMBL10194700 0.88 L3MBTL3 (0.43) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL9951745 0.87 L3MBTL3 (0.42) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL10196690 0.87 L3MBTL3 (0.42) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL10195492 0.86 L3MBTL3 (0.41) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL10196691 0.86 FLT3 (0.43) L3MBTL3TLR9TLR8TLR7ATR
SCHEMBL10194757 0.85 JAK2 (0.49) MAPK14L3MBTL1FLT3ABL1BCR

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 L3MBTL3 4428/4885MAPK14 784/4885TLR9 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.