SCHEMBL10194751

SCHEMBL10194751

O=C(NCC1CC1)c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.52
MAPK8 P45983 3/20 0.45
FLT3 P36888 5/20 0.43
MIF P14174 3/20 0.42
METTL3 Q86U44 1/20 0.41
GSK3B P49841 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HDAC3 O15379 1/20 0.39
MAP2K4 P45985 1/20 0.39

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
SCHEMBL10194730 0.90 ITK (0.49) ITKMAPK8FLT3METTL3GSK3B
SCHEMBL10194952 0.87 HPGD (0.52)
SCHEMBL10195022 0.86 MAPK8 (0.48) ITKMAPK8FLT3MIFMAP2K4
SCHEMBL10195031 0.85 CHEK1 (0.52) MAPK8FLT3MAP2K4
SCHEMBL10194948 0.84 ACKR3 (0.56) ITK
SCHEMBL10195023 0.83 KDM4E (0.54) ITKMAPK8MIF
SCHEMBL10195025 0.83 FLT3 (0.51) ITKMAPK8FLT3MIFMAP2K4
SCHEMBL9952538 0.82 MAPK8 (0.45) ITKMAPK8FLT3MIFMAP2K4
SCHEMBL9952297 0.82 ACKR3 (0.56) ITKMAPK8FLT3MIF
SCHEMBL10194946 0.81 PARP1 (0.48) MAPK8

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 ITK 368/4885MAPK8 1091/4885FLT3 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.