SCHEMBL1133778

SCHEMBL1133778

Cc1ccc2nnc(C(F)(F)c3cccc(-c4ncc(OCC5CCN(C)CC5)cn4)c3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.43
▸ NQO2 P16083 2/20 0.43
▸ PIM1 P11309 7/20 0.43
▸ PIM2 Q9P1W9 3/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ GAK O14976 1/20 0.39
▸ STK10 O94804 1/20 0.39
▸ YES1 P07947 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ PKN1 Q16512 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ SIK2 Q9H0K1 1/20 0.39
▸ SLK Q9H2G2 1/20 0.39
▸ BMP2K Q9NSY1 1/20 0.39
▸ PRKAG2 Q9UGJ0 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
SCHEMBL1658386 0.90 GUCY1B2 (0.36) METNQO2PIM1GUCY1B2GUCY1A2
SCHEMBL1133917 0.87 MET (0.53) METNQO2PIM1PDE3BPDE3A
SCHEMBL1658272 0.87 GPR119 (0.45) PIM1
SCHEMBL1133713 0.86 GUCY1B2 (0.35) METNQO2PIM1GUCY1B2GUCY1A2
SCHEMBL1133840 0.83 PIM1 (0.43) METNQO2PIM1PDE3BPDE3A
SCHEMBL1133888 0.78 CYP1A2 (0.43) METNQO2PIM1FLT3PDE3B
SCHEMBL1133887 0.78 CYP1A2 (0.43) METNQO2PIM1PDE3BPDE3A
SCHEMBL31495102 0.75 MET (0.53) METNQO2CXCR1ACHE
SCHEMBL13449240 0.75 MET (0.53) METNQO2CXCR1ACHE
SCHEMBL23344096 0.74 MET (0.48) METNQO2PIM1PIM2FLT3

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 1615/4885PIM1 73/4885

“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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