SCHEMBL5349943

SCHEMBL5349943

Nc1nccc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccccc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 8/20 0.42
DBF4 Q9UBU7 1/20 0.42
PKM P14618 1/20 0.37
FEN1 P39748 2/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
MAPK14 Q16539 1/20 0.35
BRAF P15056 1/20 0.35
CDK5 Q00535 3/20 0.34
CDK5R1 Q15078 3/20 0.34
DYRK1A Q13627 3/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 1/20 0.34
MAP3K14 Q99558 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CDK9 P50750 3/20 0.34
CCNA1 P78396 3/20 0.34
CCNT1 O60563 2/20 0.34
PLK1 P53350 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
SCHEMBL5353023 0.86 MAPK14 (0.47) MAPK14CDK5CDK5R1CCNA2CDK2
SCHEMBL5921224 0.84 PKM (0.38) CDC7PKMFEN1MAPK14BRAF
SCHEMBL5348361 0.82 PDE3B (0.40) CDC7FEN1MAPK14BRAFDYRK1A
SCHEMBL5368155 0.80 KDM4E (0.30)
SCHEMBL5353161 0.76 CDC7 (0.46) CDC7DBF4PKMFEN1ADRA1D
SCHEMBL5352280 0.73 PDE3B (0.43) CDC7FEN1MAPK14BRAFADORA2A
SCHEMBL5357222 0.73 MAPK10 (0.37) BRAF
SCHEMBL5353956 0.72 ABL1 (0.47) MAPK14DYRK1AGSK3BADORA2A
SCHEMBL5356281 0.71 SMN1; SMN2 (0.38) CDC7MAPK14BRAFDYRK1AGSK3B
SCHEMBL5140478 0.70 FEN1 (0.57) CDC7DBF4FEN1ADRA1DADRA1A

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 CDC7 1763/4885DBF4 4808/4885PKM 675/4885

“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.