SCHEMBL10194901

SCHEMBL10194901

O=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCCC(C(=O)N2CCCC2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.44
FLT3 P36888 1/20 0.44
MAPT P10636 2/20 0.43
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
KDM2A Q9Y2K7 3/20 0.40
KDM6B O15054 2/20 0.40
KDM4A O75164 2/20 0.40
KDM5C P41229 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM3A Q9Y4C1 1/20 0.40
JAK1 P23458 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL10195701 0.89 FLT3 (0.53) ALDH1A1FLT3MAPTMAPK8MAPK10
SCHEMBL9952332 0.89 MAPK10 (0.42) ALDH1A1FLT3MAPTMAPK8MAPK10
SCHEMBL9953616 0.89 MAPK10 (0.42) ALDH1A1FLT3MAPTMAPK8MAPK10
SCHEMBL9953312 0.89 MAPK10 (0.42) ALDH1A1FLT3MAPTMAPK8MAPK10
SCHEMBL10194782 0.88 MAPK10 (0.53) ALDH1A1FLT3MAPTMAPK8MAPK10
SCHEMBL10194775 0.86 FLT3 (0.44) L3MBTL1ALDH1A1FLT3MAPK8MAPK10
SCHEMBL10195384 0.86 MAPK10 (0.40) ALDH1A1FLT3MAPTMAPK8MAPK10
SCHEMBL10194766 0.86 MAPK10 (0.42) L3MBTL1ALDH1A1FLT3MAPK8MAPK10
SCHEMBL9953437 0.85 MGLL (0.41) ALDH1A1FLT3MAPTMAPK8MAPK10
SCHEMBL10194715 0.84 PARP1 (0.47) L3MBTL1ALDH1A1POLBMAPK10KDM2A

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 10 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
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 CN 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 L3MBTL1 4489/4885ALDH1A1 875/4885SMN1; SMN2 3843/4885

“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.