SCHEMBL10195023

SCHEMBL10195023

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK8 P45983 3/20 0.50
TRPA1 O75762 1/20 0.48
GPR84 Q9NQS5 1/20 0.44
HPGD P15428 2/20 0.44
MAP3K5 Q99683 1/20 0.44
MAPK1 P28482 2/20 0.43
LRRK2 Q5S007 1/20 0.42
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ITK Q08881 3/20 0.41
LMNA P02545 1/20 0.40
MAPK10 P53779 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL10195388 0.90 KDM4E (0.52) KDM4ESMN1; SMN2MAPK8TRPA1MAP3K5
SCHEMBL10195022 0.88 MAPK8 (0.48) MAPK8HPGDMAPK1MAPTITK
SCHEMBL10194957 0.86 ACKR3 (0.52) KDM4ESMN1; SMN2MAPK8MAPK1MAPT
SCHEMBL10195025 0.85 FLT3 (0.51) MAPK8GPR84MAPK1LRRK2ITK
SCHEMBL10194949 0.84 ACKR3 (0.54) KDM4ESMN1; SMN2MAPK8HPGDMAPT
SCHEMBL9952538 0.84 MAPK8 (0.45) KDM4EMAPK8HPGDMAPK1MAPT
SCHEMBL10194946 0.83 PARP1 (0.48) KDM4EMAPK8MAPTLMNA
SCHEMBL10194751 0.83 ITK (0.52) MAPK8ITKMIF
SCHEMBL10195697 0.83 MAPK8 (0.51) MAPK8MAPT
SCHEMBL9952297 0.82 ACKR3 (0.56) MAPK8ITKMIF

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 9 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
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

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 KDM4E 3415/4885SMN1; SMN2 3843/4885MAPK8 1091/4885

“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.