SCHEMBL9952385

SCHEMBL9952385

O=C(c1ccc(-n2cc(-c3n[nH]c4ccc(Cn5nc(-c6ccncc6)ccc5=O)cc34)nn2)cc1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
MAPK10 P53779 1/20 0.41
GAA P10253 1/20 0.40
MAPK14 Q16539 1/20 0.40
FLT3 P36888 5/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MET P08581 1/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 1/20 0.37
LRRK2 Q5S007 3/20 0.37
STAT3 P40763 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ROCK1 Q13464 1/20 0.36
MMP2 P08253 1/20 0.35

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
SCHEMBL10194788 0.94 JAK2 (0.42) JAK2MAPK10GAAMAPK14FLT3
SCHEMBL10196685 0.93 MAPK10 (0.41) JAK2MAPK10GAAFLT3IDO1
SCHEMBL10194694 0.92 MET (0.42) JAK2MAPK10GAAMAPK14FLT3
SCHEMBL10194761 0.90 MET (0.39) JAK2MAPK10GAAMAPK14FLT3
SCHEMBL10194759 0.89 JAK2 (0.40) JAK2MAPK10GAAMAPK14FLT3
SCHEMBL9952225 0.89 GAA (0.44) JAK2MAPK10GAAFLT3IDO1
SCHEMBL10194887 0.89 JAK2 (0.41) JAK2FLT3METLRRK2
SCHEMBL9951918 0.88 HDAC1 (0.41) MAPK14FLT3METHDAC1POLB
SCHEMBL9952483 0.86 MAPK10 (0.45) JAK2MAPK10GAAFLT3IDO1
SCHEMBL10194889 0.84 JAK2 (0.42) JAK2METKDM4EPOLBCYP3A4

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 11 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
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 JAK2 66/4885MAPK10 1774/4885GAA 3322/4885

“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.