SCHEMBL10194922

SCHEMBL10194922

O=c1ccc(-c2cccc(O)c2)nn1Cc1ccc2[nH]nc(-c3cn(-c4ccc(CN5CCOCC5)cc4)nn3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
JAK2 O60674 2/20 0.38
PIK3CA P42336 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CDC7 O00311 5/20 0.37
ROCK2 O75116 2/20 0.37
MAP4K4 O95819 2/20 0.37
PIM1 P11309 2/20 0.37
CDK2 P24941 2/20 0.37
HIPK2 Q9H2X6 2/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
CHEK1 O14757 2/20 0.37
CDK7 P50613 2/20 0.37
LRRK2 Q5S007 1/20 0.36
PRKACA P17612 1/20 0.36
GSK3B P49841 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL10194889 0.92 JAK2 (0.42) METJAK2CDC7ROCK2MAP4K4
SCHEMBL10194883 0.90 MET (0.41) METJAK2CDC7ROCK2MAP4K4
SCHEMBL10194887 0.89 JAK2 (0.41) METJAK2CDC7ROCK2MAP4K4
SCHEMBL10194788 0.83 JAK2 (0.42) METJAK2HDAC6CDC7CHEK1
SCHEMBL10194761 0.82 MET (0.39) METJAK2LRRK2
SCHEMBL10196685 0.82 MAPK10 (0.41) METJAK2HDAC6PIM1IRAK4
SCHEMBL9952385 0.81 JAK2 (0.41) METJAK2LRRK2
SCHEMBL10194759 0.80 JAK2 (0.40) METJAK2CDC7LRRK2PARP1
SCHEMBL10194694 0.80 MET (0.42) METJAK2LRRK2
SCHEMBL10194895 0.79 JAK2 (0.48) JAK2PIK3CACDC7ROCK2MAP4K4

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 MET 3757/4885HSD17B1 182/4885HSD17B2 142/4885

“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.