SCHEMBL6091007

SCHEMBL6091007

Cc1onc(-c2ccc(F)cc2)c1-c1ccnc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.56
MAPK14 Q16539 9/20 0.53
MAPK10 P53779 2/20 0.53
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
PTGS1 P23219 2/20 0.49
NR3C2 P08235 1/20 0.48
PAX8 Q06710 1/20 0.47
CSNK1D P48730 4/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL6093538 0.86 PTGS2 (0.56) PTGS2MAPK14MAPK10MAPK13MAPK12
SCHEMBL4680761 0.86 PTGS2 (0.53) PTGS2MAPK14MAPK10MAPK13MAPK12
SCHEMBL4329223 0.83 MAPK14 (0.69) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL23933185 0.80 BRD4 (0.51)
SCHEMBL4587731 0.77 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL4333428 0.75 MAPK14 (0.66) PTGS2MAPK14MAPK10MAPK11CSNK1D
SCHEMBL14591605 0.74 PTGS2 (0.47) PTGS2PTGS1PAX8
SCHEMBL14626838 0.74 POLB (0.53) PTGS2MAPK14MAPK10MAPK13MAPK12
SCHEMBL6723394 0.73 PTGS2 (0.68) PTGS2PTGS1NR3C2PAX8
SCHEMBL6718388 0.72 PTGS2 (0.69) PTGS2PTGS1NR3C2PAX8

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 PTGS2 106/4885MAPK14 3157/4885MAPK10 4498/4885

“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.