SCHEMBL5354450

SCHEMBL5354450

O=C1CCC(n2cc(-c3ccnc(NC(=O)C4CC4)c3)c(-c3ccccc3)n2)=NN1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.48
KCNH2 Q12809 1/20 0.46
DYRK1A Q13627 1/20 0.46
MAPK14 Q16539 4/20 0.44
BUB1 O43683 2/20 0.44
PIK3C3 Q8NEB9 2/20 0.43
USP30 Q70CQ3 1/20 0.43
MAPK8 P45983 3/20 0.42
MAPK10 P53779 3/20 0.42
ACVRL1 P37023 1/20 0.42
SLC5A1 P13866 1/20 0.42

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
SCHEMBL5349303 0.91 GSK3B (0.51) GSK3BMAPK14MAPK8MAPK10
SCHEMBL5353956 0.91 ABL1 (0.47) GSK3BKCNH2DYRK1AMAPK14PIK3C3
SCHEMBL5352176 0.81 MAPK14 (0.46) GSK3BKCNH2MAPK14MAPK10
SCHEMBL5356281 0.80 SMN1; SMN2 (0.38) GSK3BKCNH2DYRK1AMAPK14BUB1
Hydrochloric Acid SCHEMBL5353670 0.80 MAPK14 (0.45) GSK3BKCNH2MAPK14MAPK10
SCHEMBL5357374 0.80 PIK3C3 (0.42) BUB1PIK3C3MAPK8MAPK10
SCHEMBL5352793 0.73 MAPK10 (0.39) KCNH2MAPK14BUB1MAPK8MAPK10
SCHEMBL5357222 0.72 MAPK10 (0.37) BUB1MAPK8MAPK10
SCHEMBL5353194 0.72 BRAF (0.41) KCNH2DYRK1APIK3C3
SCHEMBL5353919 0.72 MAPK14 (0.47) GSK3BMAPK14MAPK8MAPK10

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 862/4885KCNH2 1074/4885DYRK1A 1116/4885

“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.