SCHEMBL5360406

SCHEMBL5360406

Nc1cc(-c2cn(-c3ccc(=O)[nH]n3)nc2-c2cccc(Cl)c2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 2/20 0.39
MAPK1 P28482 2/20 0.39
DYRK1A Q13627 2/20 0.36
PIK3C3 Q8NEB9 2/20 0.36
BRAF P15056 2/20 0.36
NUDT1 P36639 3/20 0.35
CDC7 O00311 1/20 0.35
MAPK10 P53779 3/20 0.34
JAK2 O60674 1/20 0.34
FYN P06241 1/20 0.34
AKR1B1 P15121 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NOTUM Q6P988 1/20 0.33

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 0.89 DYRK1A (0.38) MAPK3MAPK1DYRK1APIK3C3BRAF
SCHEMBL5358776 0.89 PIK3C3 (0.37) MAPK3MAPK1DYRK1APIK3C3BRAF
SCHEMBL5347539 0.88 FYN (0.37) MAPK3MAPK1PIK3C3BRAFMAPK10
SCHEMBL5361108 0.87 BRAF (0.38) MAPK3MAPK1DYRK1APIK3C3BRAF
SCHEMBL5348892 0.86 MAPK10 (0.42) DYRK1AMAPK10AKR1B1ADORA2AADORA1
SCHEMBL5355647 0.85 PDE3B (0.38) MAPK3MAPK1DYRK1APIK3C3BRAF
SCHEMBL5356236 0.83 BRAF (0.40) MAPK3MAPK1BRAFMAPK10ADORA2A
SCHEMBL5354755 0.82 PIK3C3 (0.38) DYRK1APIK3C3MAPK10ADORA2AADORA1
SCHEMBL5367546 0.80 PDE3B (0.38) MAPK3MAPK1PIK3C3BRAFMAPK10
SCHEMBL5354079 0.78 MAPK10 (0.38) BRAFMAPK10AKR1B1

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 11 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
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN 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
CN-1684953-A Pyrazole compounds UBE INDUSTRIES (JP) 2005-10-19 CN 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 MAPK3 3/4885MAPK1 2/4885DYRK1A 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.