Ethylbenzene

Ethylbenzene

SCHEMBL5360059

CCc1ccccc1.Nc1cc(-c2cn(-c3ccc4nncn4n3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.36
CSNK1E P49674 4/20 0.36
MAPK14 Q16539 7/20 0.36
MAPK13 O15264 6/20 0.36
MAPK12 P53778 6/20 0.36
MAPK11 Q15759 6/20 0.36
KCNH2 Q12809 3/20 0.35
TGFBR1 P36897 1/20 0.35
PTGS2 P35354 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5347667 0.91 MAPK14 (0.40) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5348581 0.87 KMT2A (0.41) MAPK14KCNH2PTGS2ADORA2ABRAF
SCHEMBL5356860 0.86 CSNK1D (0.38) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5355766 0.83 TGFBR1 (0.38) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL5351671 0.83 MAPT (0.35) CSNK1DCSNK1ESMN1; SMN2BRAFMEN1
SCHEMBL5353464 0.82 KMT2A (0.39) KCNH2ADORA2AADORA2BADORA1MEN1
SCHEMBL5354740 0.82 TGFBR1 (0.37) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL5354317 0.81 BRAF (0.36) KCNH2PTGS2SMN1; SMN2SRCBRAF
SCHEMBL5350468 0.81 TGFBR1 (0.41) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL5352364 0.81 KDM4E (0.49) CSNK1DCSNK1EMAPK14MAPK13MAPK12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CSNK1D 175/4885CSNK1E 407/4885MAPK14 39/4885

“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.