SCHEMBL2458149

SCHEMBL2458149

Brc1cnc(-c2cccc(Cc3nnc4ccc(Oc5ccccc5)nn34)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LRRK2 Q5S007 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12245312 0.90 MET (0.44) METLMNATSHRHTTSMN1; SMN2
SCHEMBL12224229 0.90 SMN1; SMN2 (0.48) METLMNATSHRHTTSMN1; SMN2
SCHEMBL12224243 0.90 MET (0.47) METLMNATSHRHTTSMN1; SMN2
SCHEMBL12224215 0.87 MET (0.46) METKDM4EHPGDHSD17B10
SCHEMBL14715596 0.85 MET (0.40) MET
SCHEMBL12224212 0.85 LMNA (0.44) METLMNATSHRHTTSMN1; SMN2
SCHEMBL12224242 0.83 MET (0.41) METLMNATSHRHTTSMN1; SMN2
SCHEMBL12730591 0.81 MET (0.43) METKDM4E
SCHEMBL14715539 0.81 MET (0.39) MET
SCHEMBL2452860 0.81 MET (0.40) MET

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-2367827-B1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4]TRIAZOLO [4,3-b]PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-02-27 EP claimed
US-8426397-B2 3 (3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-23 US disclosed
US-8426397-B2 3 (3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-23 US disclosed
US-8426397-B2 3 (3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-23 US disclosed
EP-2367827-B1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4]TRIAZOLO [4,3-b]PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
EP-2367827-B1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4]TRIAZOLO [4,3-b]PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-02-27 EP disclosed
US-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
US-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
US-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 US disclosed
EP-2367827-A1 3-(3-PYRIMIDINE-2-YL-BENZYL)-Ý1,2,4¨TRIAZOLO Ý4,3-B¨PYRIDAZINE DERIVATIVES Merck Patent GmbH (DE) 2011-09-28 EP disclosed
WO-2010072301-A1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 WO disclosed
WO-2010072301-A1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 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-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives RET, ERBB2, JAK2 MET 5/4885LMNA 3527/4885TSHR 593/4885

“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.