SCHEMBL9953616

SCHEMBL9953616

O=C(c1ccc(-n2cc(-c3n[nH]c4ccccc34)nn2)cc1)N1CCC[C@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.42
MAPK8 P45983 2/20 0.42
FLT3 P36888 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM6B O15054 2/20 0.41
KDM4A O75164 2/20 0.41
KDM5C P41229 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM3A Q9Y4C1 1/20 0.41
GRM3 Q14832 1/20 0.39
MAPT P10636 2/20 0.39
MGLL Q99685 1/20 0.39
EIF4A3 P38919 1/20 0.38
ALDH1A1 P00352 2/20 0.38
VNN1 O95497 1/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
STK25 O00506 1/20 0.38
CIT O14578 1/20 0.38
RIOK3 O14730 1/20 0.38

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
SCHEMBL9953312 1.00 MAPK10 (0.42) MAPK10MAPK8FLT3KDM2AKDM6B
SCHEMBL9952332 1.00 MAPK10 (0.42) MAPK10MAPK8FLT3KDM2AKDM6B
SCHEMBL9953437 0.94 MGLL (0.41) MAPK10MAPK8FLT3KDM2AMAPT
SCHEMBL10194958 0.91 MAP2K4 (0.41) MAPK10MAPK8FLT3MAPTMGLL
SCHEMBL9953219 0.89 MGLL (0.44) MAPK10MAPK8FLT3MAPTMGLL
SCHEMBL10194901 0.89 L3MBTL1 (0.46) MAPK10MAPK8FLT3KDM2AKDM6B
SCHEMBL10194775 0.89 FLT3 (0.44) MAPK10MAPK8FLT3KDM2AKDM6B
SCHEMBL10195384 0.89 MAPK10 (0.40) MAPK10MAPK8FLT3KDM2AKDM6B
SCHEMBL10194782 0.89 MAPK10 (0.53) MAPK10MAPK8FLT3MAPTALDH1A1
SCHEMBL10195701 0.88 FLT3 (0.53) MAPK10MAPK8FLT3MAPTALDH1A1

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 12 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
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 CN 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 MAPK10 1774/4885MAPK8 1091/4885FLT3 282/4885

“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.