SCHEMBL5354317

SCHEMBL5354317

Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(Cl)cc2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPK3 P27361 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
DYRK1A Q13627 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS2 P35354 5/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
KCNH2 Q12809 2/20 0.32
ADRB2 P07550 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 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
SCHEMBL5355176 0.90 ADRB2 (0.39) BRAFMAPK1MAPK3MAPTKDM4E
SCHEMBL5347667 0.90 MAPK14 (0.40) BRAFMAPK1MAPK3MAPTMEN1
SCHEMBL5348581 0.90 KMT2A (0.41) BRAFMAPK1MAPK3MAPTKDM4E
SCHEMBL5352241 0.90 TGFBR1 (0.39) BRAFMAPK1MAPK3MAPTMEN1
SCHEMBL5354379 0.89 KMT2A (0.35) BRAFMAPK1MAPK3MAPTKDM4E
SCHEMBL5354740 0.88 TGFBR1 (0.37) BRAFMAPK1MAPK3MAPTMEN1
SCHEMBL5359296 0.88 BRAF (0.35) BRAFMAPK1MAPK3MAPTKDM4E
SCHEMBL5356860 0.84 CSNK1D (0.38) BRAFMAPK1MAPK3SRCKDR
SCHEMBL5351671 0.83 MAPT (0.35) BRAFMAPK1MAPK3MAPTKDM4E
SCHEMBL5353464 0.83 KMT2A (0.39) MAPK1MAPTKDM4EDYRK1AMEN1

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 19/4885MAPK1 2/4885MAPK3 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.