SCHEMBL6093538

SCHEMBL6093538

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.56
PTGS1 P23219 3/20 0.53
MAPK14 Q16539 6/20 0.48
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK10 P53779 2/20 0.48
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PAX8 Q06710 1/20 0.45
CSNK1D P48730 2/20 0.45
MAPK9 P45984 1/20 0.45
NR3C2 P08235 1/20 0.44

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
SCHEMBL6091007 0.86 PTGS2 (0.56) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL4680761 0.84 PTGS2 (0.53) PTGS2PTGS1MAPK14MAPK13MAPK12
SCHEMBL583542 0.78 BRD4 (0.51)
SCHEMBL4587731 0.75 PTGS2 (0.80) PTGS2PTGS1MAPT
SCHEMBL4932513 0.74 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK10
SCHEMBL1930505 0.74 L3MBTL1 (0.54) PTGS2PTGS1MAPK14MAPTL3MBTL1
SCHEMBL4333428 0.73 MAPK14 (0.66) PTGS2MAPK14MAPK11MAPK10CSNK1D
SCHEMBL14591605 0.72 PTGS2 (0.47) PTGS2PTGS1MAPTPOLBTDP1
SCHEMBL6167941 0.72 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4587749 0.72 PTGS2 (1.00) PTGS2PTGS1

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 106/4885PTGS1 85/4885MAPK14 3157/4885

“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.