SCHEMBL5361634

SCHEMBL5361634

Nc1cc(-c2cn(C3=Nn4cnnc4CC3)nc2-c2ccccc2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3B P49841 1/20 0.34
KCNH2 Q12809 1/20 0.34
DYRK1A Q13627 1/20 0.34
PTGS2 P35354 4/20 0.33
MAPK10 P53779 5/20 0.33
ADORA2A P29274 4/20 0.32
KHK P50053 1/20 0.32
MAPT P10636 1/20 0.31
MAPK14 Q16539 1/20 0.31
ADORA1 P30542 2/20 0.31

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
SCHEMBL5348893 0.91 BRAF (0.39) BRAFMAPK3MAPK1KDM4EKCNH2
SCHEMBL5354132 0.90 MAPK14 (0.38) BRAFMAPK3MAPK1GSK3BKCNH2
SCHEMBL5354848 0.90 BRAF (0.35) BRAFMAPK3MAPK1MAPK10
SCHEMBL5359520 0.90 BRAF (0.37) BRAFMAPK3MAPK1MEN1KMT2A
SCHEMBL5351794 0.90 BRAF (0.33) BRAFMAPK3MAPK1GSK3BKCNH2
SCHEMBL5359722 0.88 MAPK10 (0.39) BRAFMAPK3MAPK1DYRK1AMAPK10
SCHEMBL5349440 0.88 BRAF (0.40) BRAFMAPK3MAPK1DYRK1AMAPK10
SCHEMBL5355065 0.87 BRAF (0.37) BRAFMAPK3MAPK1
SCHEMBL5348121 0.76 SRC (0.49) BRAFPTGS2MAPK14
SCHEMBL5356281 0.75 SMN1; SMN2 (0.38) BRAFMAPK3MAPK1KDM4EMEN1

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.