SCHEMBL9953128

SCHEMBL9953128

O=C(NCc1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)c1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.53
MAPK3 P27361 5/20 0.53
NAMPT P43490 1/20 0.48
ITK Q08881 1/20 0.46
MIF P14174 2/20 0.46
FLT1 P17948 3/20 0.44
KDR P35968 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK8 P45983 2/20 0.43
TTK P33981 1/20 0.43
ROCK2 O75116 1/20 0.42
RPS6KA5 O75582 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKCG P05129 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PRKX P51817 1/20 0.42

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
SCHEMBL9952819 0.86 GRM4 (0.44) MAPK1MAPK3NAMPTITKMIF
SCHEMBL9951926 0.85 OGT (0.43) NAMPTITKMIFROCK2MAP4K4
SCHEMBL10195022 0.84 MAPK8 (0.48) MAPK1MAPK3ITKMIFMAPK8
SCHEMBL10195548 0.83 ITK (0.47) MAPK1MAPK3NAMPTITKMIF
SCHEMBL10195545 0.82 MAPT (0.47) MAPK1MIFMAPK8
SCHEMBL10195023 0.81 KDM4E (0.54) MAPK1ITKMIFMAPK8
SCHEMBL10194751 0.81 ITK (0.52) ITKMIFMAPK8ROCK2GSK3B
SCHEMBL10195025 0.81 FLT3 (0.51) MAPK1ITKMIFMAPK8TTK
SCHEMBL10195028 0.80 ITK (0.44) MAPK1MAPK3ITKMIFMAPK8
SCHEMBL10194721 0.80 CYP1A2 (0.55) NAMPTMIFFLT1KDRL3MBTL1

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 12 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-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 CN disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP 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
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
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 MAPK1 1717/4885MAPK3 1106/4885NAMPT 1608/4885

“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.