SCHEMBL10195388

SCHEMBL10195388

COCCNC(=O)c1cccc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAP3K5 Q99683 1/20 0.49
TRPA1 O75762 1/20 0.48
MAPK8 P45983 2/20 0.43
MAPK1 P28482 2/20 0.43
PRKD1 Q15139 1/20 0.43
LRRK2 Q5S007 1/20 0.43
MAPK14 Q16539 1/20 0.42
ITK Q08881 3/20 0.41
GPR142 Q7Z601 2/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
NAMPT P43490 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
SCHEMBL10195023 0.90 KDM4E (0.54) KDM4ESMN1; SMN2MAP3K5TRPA1MAPK8
SCHEMBL10194940 0.85 MAPK1 (0.42) KDM4EMAPK1PRKD1GPR142
SCHEMBL10195379 0.83 MAPK8 (0.49) KDM4EMAPK8MAPK14HTR1ADRD2
SCHEMBL10195381 0.82 ITK (0.42) SMN1; SMN2MAPK8PRKD1MAPK14ITK
SCHEMBL10194750 0.81 MAPK10 (0.55) KDM4ESMN1; SMN2MAPK8MAPK14HTR1A
SCHEMBL10195022 0.78 MAPK8 (0.48) MAPK8MAPK1ITK
SCHEMBL10194749 0.76 PARP1 (0.46) KDM4EMAPK8
SCHEMBL10194957 0.76 ACKR3 (0.52) KDM4ESMN1; SMN2MAPK8MAPK1NAMPT
SCHEMBL10194941 0.76 FLT3 (0.46) KDM4ESMN1; SMN2MAPK8MAPK1
SCHEMBL10194949 0.75 ACKR3 (0.54) KDM4ESMN1; SMN2MAPK8

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 7 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-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 3843/4885MAP3K5 664/4885

“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.