SCHEMBL6095042

SCHEMBL6095042

CCOc1cc(-c2cnoc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.38
MAPK14 Q16539 7/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NR3C1 P04150 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 2/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
PDE10A Q9Y233 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
CYP17A1 P05093 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
SCHEMBL8836231 0.80 TDO2 (0.45) TDO2MAPK14GRM5MAPK13MAPK12
SCHEMBL7495308 0.78 MAPK14 (0.45) TDO2MAPK14GRM5MAPK13MAPK12
SCHEMBL7495163 0.78 TDO2 (0.43) TDO2MAPK14CSNK1DCSNK1ECYP17A1
SCHEMBL7496200 0.73 MAPK14 (0.58) TDO2MAPK14MAPK13MAPK12MAPK11
SCHEMBL24196283 0.66 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL24196453 0.66 HSD17B10 (0.45) CYP2C9CYP2C19MEN1KMT2AGRM5
SCHEMBL8836017 0.66 TDO2 (0.54) TDO2MAPK14MEN1KMT2AGRM5
SCHEMBL1878087 0.66 MAPK14 (0.48) TDO2MAPK14CYP2C9CYP2C19MEN1
SCHEMBL20744375 0.66 NLRP3 (0.41) MAPK14MAPK13MAPK12MAPK11PDE10A
SCHEMBL30684077 0.66 NLRP3 (0.41) MAPK14MAPK13MAPK12MAPK11PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128759-A1 Substituted isoxazole derivatives and their use in pharmaceutics MERCKLE GMBH (DE) 2006-06-15 US disclosed
EP-1530468-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-05-18 EP disclosed
WO-2004017968-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2004-03-04 WO 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-20060128759-A1 Substituted isoxazole derivatives and their use in pharmaceutics IFNG, IRF3, IL2 TDO2 810/4885MAPK14 3157/4885CYP19A1 665/4885

“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.