SCHEMBL5348361

SCHEMBL5348361

Nc1cc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccccc2F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PIM2 Q9P1W9 2/20 0.35
PIM3 Q86V86 1/20 0.35
PIM1 P11309 4/20 0.34
DYRK1A Q13627 3/20 0.34
MAPK1 P28482 2/20 0.34
DYRK3 O43781 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PLK4 O00444 1/20 0.34
MAPK13 O15264 1/20 0.34
DAPK3 O43293 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
EGFR P00533 1/20 0.34
CDK1 P06493 1/20 0.34
MET P08581 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL5352280 0.90 PDE3B (0.43) PDE3BPDE3AMAPK1MAPK13CSNK1D
SCHEMBL5356281 0.89 SMN1; SMN2 (0.38) PDE3BPDE3ADYRK1AMAPK1PIK3C3
SCHEMBL5353375 0.87 PDE3B (0.43) PDE3BPDE3AMAPK1MAPK13KDR
SCHEMBL1957450 0.87 CSNK1D (0.41) PDE3BPDE3AMAPK1MAPK13MAP4K4
SCHEMBL5348807 0.87 BUB1 (0.38) PDE3BPDE3AMAPK1MAPK8MAPK9
SCHEMBL5354405 0.86 PDE3B (0.42) PDE3BPDE3ADYRK1AMAPK1PIK3C3
SCHEMBL5353683 0.85 PDE3B (0.39) PDE3BPDE3ADYRK1AMAPK1PIK3C3
SCHEMBL5353194 0.84 BRAF (0.41) PDE3BPDE3ADYRK1AMAPK1PIK3C3
SCHEMBL5357374 0.83 PIK3C3 (0.42) PIK3C3MAPK8MAPK9ADORA2A
SCHEMBL5347189 0.83 BRAF (0.38) PDE3BPDE3ADYRK1AMAPK1PIK3C3

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 7 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-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 PDE3B 485/4885PDE3A 511/4885PIM2 654/4885

“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.