SCHEMBL1133664

SCHEMBL1133664

Cn1cc(-c2ccc3nnc(C(F)(F)c4cccc(-c5ncccn5)c4)n3n2)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.70
▸ PDE3B Q13370 3/20 0.70
▸ PDE3A Q14432 3/20 0.70
▸ NQO2 P16083 2/20 0.70
▸ PIP4K2C Q8TBX8 2/20 0.70
▸ ABL1 P00519 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ MAP3K19 Q56UN5 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ FYN P06241 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47

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
SCHEMBL1133683 0.92 MET (0.62) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL14138195 0.92 MET (0.62) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL1133875 0.92 MET (0.62) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL1133909 0.92 MET (0.62) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL12730491 0.88 MET (0.58) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL1133760 0.87 MET (0.57) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL1133692 0.86 MET (0.56) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL12730563 0.86 MET (0.56) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL12730567 0.85 MET (0.55) METPDE3BPDE3ANQO2PIP4K2C
SCHEMBL12730626 0.85 MET (0.55) METPDE3BPDE3ANQO2PIP4K2C

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
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
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 3/4885PDE3B 2032/4885PDE3A 1855/4885

“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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