SCHEMBL1133917

SCHEMBL1133917

CN1CCC(COc2cnc(-c3cccc(C(F)(F)c4nnc5ccc(-c6cnn(C)c6)nn45)c3)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.53
▸ NQO2 P16083 2/20 0.53
▸ PDE3B Q13370 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ PIP4K2C Q8TBX8 1/20 0.53
▸ PIM1 P11309 2/20 0.40
▸ FYN P06241 2/20 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
SCHEMBL1133778 0.87 MET (0.43) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133760 0.86 MET (0.57) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133692 0.85 MET (0.56) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL12730563 0.85 MET (0.56) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL12730491 0.85 MET (0.58) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL12730567 0.84 MET (0.55) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL12730626 0.84 MET (0.55) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133664 0.83 MET (0.70) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133805 0.83 MET (0.52) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133875 0.82 MET (0.62) METNQO2PDE3BPDE3APIP4K2C

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
US-8497266-B2 3-(3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives as MET kinase inhibitors MERCK PATENT GMBH (DE) 2013-07-30 — — US claimed
EP-2285811-B1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2012-12-05 — — EP claimed
US-20110092498-A1 3-(3-PYRIMIDIN-2-YLBENZYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-21 — — US claimed
US-8497266-B2 3-(3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives as MET kinase inhibitors MERCK PATENT GMBH (DE) 2013-07-30 — — US disclosed
EP-2285811-B1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2012-12-05 — — EP disclosed
EP-2285811-B1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2012-12-05 — — EP disclosed
US-20110092498-A1 3-(3-PYRIMIDIN-2-YLBENZYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-21 — — US disclosed
US-20110092498-A1 3-(3-PYRIMIDIN-2-YLBENZYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-21 — — US disclosed
US-20110092498-A1 3-(3-PYRIMIDIN-2-YLBENZYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-04-21 — — US disclosed
EP-2285811-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-Ý1,2,4¨TRIAZOLOÝ4,3-B¨PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS Merck Patent GmbH (DE) 2011-02-23 — — EP disclosed
WO-2009152920-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-12-23 — — WO disclosed
WO-2009152920-A1 3-(3-PYRIMIDIN-2-YL-BENZYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS MERCK PATENT GMBH (DE) 2009-12-23 — — 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-20110092498-A1 3-(3-PYRIMIDIN-2-YLBENZYL)-1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AS MET KINASE INHIBITORS RET, ERBB2, MET MET 3/4885NQO2 1615/4885PDE3B 2032/4885

“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.

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