SCHEMBL5355647

SCHEMBL5355647

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
BRAF P15056 2/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
BUB1 O43683 2/20 0.35
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PDPK1 O15530 1/20 0.33
IDO1 P14902 1/20 0.32
ADORA2B P29275 1/20 0.32
KCNH2 Q12809 2/20 0.31
MAPK14 Q16539 2/20 0.31
MAPK10 P53779 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL5356236 0.90 BRAF (0.40) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5347090 0.88 DYRK1A (0.38) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5347539 0.87 FYN (0.37) BRAFMAPK3MAPK1BUB1MAPK10
SCHEMBL5354755 0.87 PIK3C3 (0.38) PDE3BPDE3AADORA2BKCNH2MAPK10
SCHEMBL5361108 0.86 BRAF (0.38) BRAFMAPK3MAPK1SRCKDR
SCHEMBL5358776 0.85 PIK3C3 (0.37) BRAFMAPK3MAPK1KCNH2MAPK14
SCHEMBL5360406 0.85 MAPK3 (0.39) BRAFMAPK3MAPK1MAPK10PIK3C3
SCHEMBL5367546 0.85 PDE3B (0.38) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5348892 0.83 MAPK10 (0.42) MAPK10DYRK1ATGFBR1
SCHEMBL5354079 0.80 MAPK10 (0.38) BRAFSRCKDRKCNH2MAPK14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP claimed
CN-100519552-C Pyrazole compounds UBE INDUSTRIES (JP) 2009-07-29 CN 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 PDE3B 485/4885PDE3A 511/4885BRAF 19/4885

“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.