SCHEMBL5356281

SCHEMBL5356281

Nc1cc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccccc2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
BRAF P15056 3/20 0.37
MAPK3 P27361 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 6/20 0.35
GSK3B P49841 1/20 0.35
KCNH2 Q12809 1/20 0.35
DYRK1A Q13627 1/20 0.35
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
CDC7 O00311 2/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
BUB1 O43683 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 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
SCHEMBL5353194 0.91 BRAF (0.41) BRAFMAPK3MAPK1KCNH2DYRK1A
SCHEMBL1957450 0.90 CSNK1D (0.41) BRAFMAPK3MAPK1MAPK10GSK3B
SCHEMBL5347189 0.89 BRAF (0.38) BRAFMAPK3MAPK1MAPK10DYRK1A
SCHEMBL5348807 0.89 BUB1 (0.38) BRAFMAPK3MAPK1MAPK10KCNH2
SCHEMBL5348361 0.89 PDE3B (0.40) SMN1; SMN2BRAFMAPK3MAPK1GSK3B
SCHEMBL5351774 0.87 BRAF (0.41) BRAFMAPK3MAPK1MAPK10DYRK1A
SCHEMBL5353875 0.87 MAPK10 (0.41) BRAFMAPK3MAPK1MAPK10DYRK1A
SCHEMBL5353375 0.86 PDE3B (0.43) BRAFMAPK3MAPK1MAPK10KCNH2
SCHEMBL5352280 0.85 PDE3B (0.43) BRAFMAPK3MAPK1KCNH2PDE3B
SCHEMBL5354405 0.84 PDE3B (0.42) BRAFMAPK3MAPK1MAPK10KCNH2

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 SMN1; SMN2 4443/4885BRAF 19/4885MAPK3 3/4885

“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.