SCHEMBL5361108

SCHEMBL5361108

Nc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2ccc(Cl)c(Cl)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
MAPK10 P53779 4/20 0.36
MAPK14 Q16539 4/20 0.36
DYRK1A Q13627 3/20 0.35
COMT P21964 1/20 0.35
KMO O15229 3/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PDPK1 O15530 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL5347090 0.90 DYRK1A (0.38) BRAFMAPK3MAPK1PIK3C3DYRK1A
SCHEMBL5360406 0.87 MAPK3 (0.39) BRAFMAPK3MAPK1PIK3C3MAPK10
SCHEMBL5355647 0.86 PDE3B (0.38) BRAFMAPK3MAPK1PIK3C3MAPK10
SCHEMBL5356236 0.86 BRAF (0.40) BRAFMAPK3MAPK1MAPK10MAPK14
SCHEMBL5358776 0.85 PIK3C3 (0.37) BRAFMAPK3MAPK1PIK3C3MAPK10
SCHEMBL5347539 0.83 FYN (0.37) BRAFMAPK3MAPK1PIK3C3MAPK10
SCHEMBL5348892 0.81 MAPK10 (0.42) MAPK10DYRK1A
SCHEMBL5354755 0.81 PIK3C3 (0.38) PIK3C3MAPK10DYRK1A
SCHEMBL5367546 0.79 PDE3B (0.38) BRAFMAPK3MAPK1PIK3C3MAPK10
SCHEMBL5351774 0.77 BRAF (0.41) BRAFMAPK3MAPK1PIK3C3MAPK10

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-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP claimed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US claimed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US claimed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP claimed
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP 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-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 BRAF 19/4885MAPK3 3/4885MAPK1 2/4885

“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.