SCHEMBL5351774

SCHEMBL5351774

Nc1cc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccc(Cl)c(Cl)c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.41
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK10 P53779 4/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
MAPK14 Q16539 4/20 0.35
DYRK1A Q13627 3/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
CDC7 O00311 1/20 0.33
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
COMT P21964 1/20 0.32
KMO O15229 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
SCHEMBL5353683 0.93 PDE3B (0.39) BRAFMAPK3MAPK1PDE3BPDE3A
SCHEMBL5353194 0.92 BRAF (0.41) BRAFMAPK3MAPK1PDE3BPDE3A
SCHEMBL5354405 0.92 PDE3B (0.42) BRAFMAPK3MAPK1MAPK10PDE3B
SCHEMBL5347189 0.89 BRAF (0.38) BRAFMAPK3MAPK1MAPK10PDE3B
SCHEMBL5353375 0.87 PDE3B (0.43) BRAFMAPK3MAPK1MAPK10PDE3B
SCHEMBL1957450 0.87 CSNK1D (0.41) BRAFMAPK3MAPK1MAPK10PDE3B
SCHEMBL5356281 0.87 SMN1; SMN2 (0.38) BRAFMAPK3MAPK1MAPK10PDE3B
SCHEMBL5348807 0.85 BUB1 (0.38) BRAFMAPK3MAPK1MAPK10PDE3B
SCHEMBL5348361 0.82 PDE3B (0.40) BRAFMAPK3MAPK1PDE3BPDE3A
SCHEMBL5353875 0.82 MAPK10 (0.41) BRAFMAPK3MAPK1MAPK10PDE3B

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 BRAF 19/4885MAPK3 3/4885MAPK1 2/4885

“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.