SCHEMBL1658272

SCHEMBL1658272

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.45
▸ CHEK2 O96017 1/20 0.42
▸ SLC2A1 P11166 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ HPGDS O60760 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ NOTCH1 P46531 1/20 0.36

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 0.91 GUCY1B2 (0.36) PDE4DPIM1
SCHEMBL1133713 0.90 GUCY1B2 (0.35) GPR119PDE4DPIM1DPP4
SCHEMBL1133778 0.87 MET (0.43) PIM1
SCHEMBL22309794 0.77 GPR119 (0.54) GPR119CHEK2SLC2A1HDAC1HPGDS
SCHEMBL2351366 0.77 GPR119 (0.54) GPR119CHEK2SLC2A1HDAC1HPGDS
SCHEMBL12547063 0.76 GPR119 (0.53) GPR119CHEK2SLC2A1HDAC1HPGDS
SCHEMBL1133917 0.76 MET (0.53) PIM1
SCHEMBL22309725 0.75 GPR119 (0.52) GPR119CHEK2SLC2A1HDAC1HPGDS
SCHEMBL21264724 0.75 GPR119 (0.54) GPR119CHEK2SLC2A1HDAC1HPGDS
SCHEMBL22310712 0.75 SLC2A1 (0.54) GPR119CHEK2SLC2A1HDAC1HPGDS

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 6 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 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
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 GPR119 1279/4885CHEK2 104/4885SLC2A1 3524/4885

“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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