SCHEMBL5355176

SCHEMBL5355176

Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(Cl)c(Cl)c2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPK1 P28482 2/20 0.37
BRAF P15056 2/20 0.37
MAPK3 P27361 1/20 0.37
MAPK10 P53779 3/20 0.34
DYRK1A Q13627 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK14 Q16539 4/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
KMO O15229 2/20 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
SCHEMBL5359296 0.92 BRAF (0.35) ADRB2KCNH2MAPK1BRAFMAPK3
SCHEMBL5352241 0.92 TGFBR1 (0.39) MAPK1BRAFMAPK3MEN1MAPT
SCHEMBL5354317 0.90 BRAF (0.36) ADRB2KCNH2MAPK1BRAFMAPK3
SCHEMBL5354379 0.88 KMT2A (0.35) MAPK1BRAFMAPK3MAPK10DYRK1A
SCHEMBL5354740 0.86 TGFBR1 (0.37) MAPK1BRAFMAPK3MEN1MAPT
SCHEMBL5347667 0.86 MAPK14 (0.40) KCNH2MAPK1BRAFMAPK3MEN1
SCHEMBL5348581 0.86 KMT2A (0.41) KCNH2MAPK1BRAFMAPK3MAPK10
SCHEMBL5351671 0.84 MAPT (0.35) MAPK1BRAFMAPK3MAPK10KDM4E
SCHEMBL5353464 0.82 KMT2A (0.39) KCNH2MAPK1DYRK1AKDM4EMEN1
SCHEMBL5353114 0.81 MAPK10 (0.39) MAPK10DYRK1AKDM4EMEN1MAPT

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 ADRB2 838/4885KCNH2 1074/4885MAPK1 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.