SCHEMBL5348807

SCHEMBL5348807

Nc1cc(-c2cn(C3=NNC(=O)CC3)nc2-c2cccc(F)c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 2/20 0.38
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
BRAF P15056 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK10 P53779 8/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
KDM4E B2RXH2 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KCNH2 Q12809 1/20 0.33
FYN P06241 1/20 0.32
CDC7 O00311 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
FLT4 P35916 1/20 0.32
MAPK8 P45983 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
SCHEMBL1957450 0.89 CSNK1D (0.41) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5356281 0.89 SMN1; SMN2 (0.38) BUB1PDE3BPDE3ABRAFMAPK3
SCHEMBL5352280 0.89 PDE3B (0.43) BUB1PDE3BPDE3ABRAFMAPK3
SCHEMBL5347189 0.89 BRAF (0.38) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5353875 0.88 MAPK10 (0.41) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5353375 0.88 PDE3B (0.43) BUB1PDE3BPDE3ABRAFMAPK3
SCHEMBL5348361 0.87 PDE3B (0.40) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5354405 0.86 PDE3B (0.42) BUB1PDE3BPDE3ABRAFMAPK3
SCHEMBL5353683 0.85 PDE3B (0.39) BUB1PDE3BPDE3ABRAFMAPK3
SCHEMBL5351774 0.85 BRAF (0.41) PDE3BPDE3ABRAFMAPK3MAPK1

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 BUB1 1326/4885PDE3B 485/4885PDE3A 511/4885

“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.