SCHEMBL5356960

SCHEMBL5356960

O=C(Nc1cc(-c2cn(C3=Nn4cnnc4CC3)nc2-c2ccccc2F)ccn1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.44
MAPT P10636 3/20 0.44
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
ADORA1 P30542 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
ABL1 P00519 1/20 0.43
GSK3A P49840 1/20 0.41
KCNH2 Q12809 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIK3C3 Q8NEB9 2/20 0.39
MAPK14 Q16539 7/20 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
SCHEMBL5352395 0.91 PIK3C3 (0.40) ADORA2AADORA3KCNH2PIK3C3MAPK14
SCHEMBL5353596 0.90 GSK3B (0.47) GSK3BGSK3APIK3C3MAPK14
SCHEMBL5353919 0.90 MAPK14 (0.47) GSK3BADORA2AADORA2BADORA1GSK3A
SCHEMBL5358362 0.83 MAPK10 (0.34)
SCHEMBL5351794 0.82 BRAF (0.33) GSK3BADORA2AADORA2BADORA1KCNH2
SCHEMBL5353956 0.81 ABL1 (0.47) GSK3BMAPTADORA2AADORA2BADORA1
SCHEMBL5352371 0.80 PIK3C3 (0.39) GSK3BKCNH2PIK3C3MAPK14
SCHEMBL5354916 0.80 MAPK14 (0.45) GSK3BKCNH2MAPK14
SCHEMBL5352629 0.75 ADORA2A (0.47) GSK3BMAPTADORA2AADORA2BADORA1
SCHEMBL5353599 0.72 MAPK10 (0.34)

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 8 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
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 GSK3B 862/4885MAPT 3650/4885ADORA2A 1103/4885

“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.