SCHEMBL1133840

SCHEMBL1133840

Cc1ccc2nnc(C(F)(F)c3cccc(-c4ncc(N5CCN(C)CC5)cn4)c3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ MET P08581 6/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PIP4K2C Q8TBX8 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 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
SCHEMBL12730491 0.86 MET (0.58) PIM1METNQO2PDE3BPDE3A
SCHEMBL13575023 0.86 MET (0.44) PIM1NPSR1MAPTMETNQO2
SCHEMBL1134053 0.84 MET (0.44) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133778 0.83 MET (0.43) PIM1METNQO2PDE3BPDE3A
SCHEMBL1133887 0.83 CYP1A2 (0.43) PIM1METNQO2PDE3BPDE3A
SCHEMBL1133888 0.83 CYP1A2 (0.43) PIM1METNQO2PDE3BPDE3A
SCHEMBL12224240 0.78 DYRK1A (0.46) PIM1NPSR1MAPTMETNQO2
SCHEMBL12730492 0.78 MET (0.44) METPDE3BPDE3AKDM4E
SCHEMBL12730513 0.77 MET (0.41) PIM1METNQO2PDE3BPDE3A
SCHEMBL13575027 0.75 LRRK2 (0.42) NPSR1MAPTMETNQO2PDE3B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-2011524385-A — — 2011-09-01 — — JP claimed
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 claimed
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 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 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
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 PIM1 73/4885NPSR1 2230/4885MAPT 3826/4885

“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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