SCHEMBL12224217

SCHEMBL12224217

FC(F)(c1cccc(-c2ncc(Br)cn2)c1)c1nnc2ccc(Nc3ccccc3)nn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.44
▸ PIM1 P11309 8/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ FLT3 P36888 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PIP4K2C Q8TBX8 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ DYRK3 O43781 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35

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
SCHEMBL14724362 0.90 MET (0.44) METPIM1MKNK1FLT3GSK3B
SCHEMBL1133887 0.82 CYP1A2 (0.43) METPIM1CDK2NQO2PDE3B
SCHEMBL12224213 0.81 LRRK2 (0.53) METPIM1CDK2NQO2PDE3B
SCHEMBL12224216 0.79 PIM1 (0.43) METPIM1CDK2NQO2PDE3B
SCHEMBL2452345 0.79 DYRK3 (0.53) METCDK2NQO2PDE3BPDE3A
SCHEMBL1133729 0.76 MET (0.45) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133683 0.76 MET (0.62) METNQO2PDE3BPDE3APIP4K2C
SCHEMBL1133888 0.72 CYP1A2 (0.43) METPIM1FLT3GSK3BCDK2
SCHEMBL1133840 0.67 PIM1 (0.43) METPIM1NQO2PDE3BPDE3A
SCHEMBL14138195 0.66 MET (0.62) METNQO2PDE3BPDE3APIP4K2C

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-8426397-B2 3 (3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-23 — — US disclosed
US-8426397-B2 3 (3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-04-23 — — US disclosed
EP-2367827-B1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4]TRIAZOLO [4,3-b]PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-02-27 — — EP disclosed
US-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 — — US disclosed
US-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives MERCK PATENT GMBH MIT BESCHRAENKTER HAFTUNG (DE) 2011-10-20 — — US disclosed
WO-2010072301-A1 3-(3-PYRIMIDINE-2-YL-BENZYL)-[1,2,4] TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-07-01 — — 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-20110257173-A1 3 (3-Pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives RET, ERBB2, JAK2 MET 5/4885PIM1 44/4885MKNK1 211/4885

“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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