SCHEMBL10195381

SCHEMBL10195381

CN(CCNC(=O)c1cccc(-n2cc(-c3n[nH]c4ccccc34)nn2)c1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK8 P45983 5/20 0.40
MAPK14 Q16539 3/20 0.40
MAPK10 P53779 2/20 0.40
NAMPT P43490 2/20 0.38
PRKD1 Q15139 1/20 0.38
MAP2K7 O14733 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ACHE P22303 1/20 0.36
GPR142 Q7Z601 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
SCHEMBL10195388 0.82 KDM4E (0.52) ITKMAPK8MAPK14NAMPTPRKD1
SCHEMBL10195379 0.81 MAPK8 (0.49) KMT2AMEN1MAPK8MAPK14MAPK10
SCHEMBL17850395 0.79 KMT2A (0.39) KMT2AMEN1MAPK8MAPK14MAPK10
SCHEMBL10194940 0.78 MAPK1 (0.42) PRKD1GPR142
SCHEMBL10194750 0.77 MAPK10 (0.55) KMT2AMEN1MAPK8MAPK14MAPK10
SCHEMBL10194957 0.75 ACKR3 (0.52) KMT2AMAPK8NAMPTMAPTSMN1; SMN2
SCHEMBL10194941 0.75 FLT3 (0.46) KMT2AMEN1MAPK8MAPK10SMN1; SMN2
SCHEMBL10194960 0.73 SLC6A9 (0.47) ITKKMT2AMEN1TP53MAPT
SCHEMBL9952297 0.73 ACKR3 (0.56) ITKMAPK8
SCHEMBL10194946 0.73 PARP1 (0.48) KMT2AMEN1MAPK8MAPT

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 ITK 368/4885KMT2A 3615/4885MEN1 3827/4885

“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.