SCHEMBL1658386

SCHEMBL1658386

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GUCY1B2 O75343 2/20 0.36
▸ GUCY1A2 P33402 2/20 0.36
▸ GUCY1A1 Q02108 2/20 0.36
▸ GUCY1B1 Q02153 2/20 0.36
▸ PIM1 P11309 3/20 0.36
▸ MET P08581 2/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ DGAT1 O75907 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ SOAT2 O75908 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34

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
SCHEMBL1658272 0.91 GPR119 (0.45) PIM1PDE4D
SCHEMBL1133778 0.90 MET (0.43) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PIM1
SCHEMBL1133713 0.87 GUCY1B2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1PIM1
SCHEMBL1133917 0.78 MET (0.53) PIM1METNQO2
SCHEMBL1133888 0.77 CYP1A2 (0.43) PIM1METNQO2LRRK2
SCHEMBL1133766 0.76 MET (0.42) PIM1METACHE
SCHEMBL1133887 0.75 CYP1A2 (0.43) PIM1METNQO2LRRK2
SCHEMBL1133840 0.75 PIM1 (0.43) PIM1METNQO2LRRK2
SCHEMBL13274935 0.73 HRH3 (0.43) METNQO2F2FFAR4PDE4D
SCHEMBL16697161 0.73 MET (0.44) METNQO2F2DGAT1PDE4D

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 2 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
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

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 GUCY1B2 1968/4885GUCY1A2 2201/4885GUCY1A1 2130/4885

“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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