SCHEMBL5353464

SCHEMBL5353464

Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccccc2F)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
ADORA2A P29274 7/20 0.34
ADORA1 P30542 5/20 0.34
ADORA2B P29275 5/20 0.34
PIM2 Q9P1W9 2/20 0.33
PIM3 Q86V86 1/20 0.33
DYRK1A Q13627 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GSK3B P49841 1/20 0.32
KCNH2 Q12809 1/20 0.32
DYRK3 O43781 1/20 0.32
CLK1 P49759 1/20 0.32
DYRK2 Q92630 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
SCHEMBL5355766 0.90 TGFBR1 (0.38) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL5348581 0.89 KMT2A (0.41) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL5354740 0.87 TGFBR1 (0.37) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL5347667 0.87 MAPK14 (0.40) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL5351671 0.87 MAPT (0.35) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL5352241 0.85 TGFBR1 (0.39) KMT2AMEN1MAPTNPSR1MAPK1
SCHEMBL5359296 0.85 BRAF (0.35) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL5354317 0.83 BRAF (0.36) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL5354379 0.83 KMT2A (0.35) KMT2AMEN1MAPTNPSR1ALDH1A1
Ethylbenzene SCHEMBL5360059 0.82 CSNK1D (0.36) KMT2AMEN1MAPTNPSR1ADORA2A

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 KMT2A 1330/4885MEN1 4609/4885MAPT 3650/4885

“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.