SCHEMBL6369779

SCHEMBL6369779

CCOC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(CCCN2CCOCC2)n1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.48
MAPK13 O15264 4/20 0.48
MAPK12 P53778 4/20 0.48
MAPK11 Q15759 4/20 0.48
HTR3A P46098 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
CD274 Q9NZQ7 1/20 0.40
GCGR P47871 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL6219428 0.88 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL6370938 0.85 HTR3A (0.56) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL6218867 0.85 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL6371556 0.80 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL6275690 0.73 HTR3A (0.53) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL6371003 0.73 HTR3A (0.53) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL6963796 0.68 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7850580 0.67 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL7853648 0.67 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11HTR3A
SCHEMBL27608558 0.66 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043331-A1 Substituted 3-(2,5-disubstituted)pyridyl-4-aryl pyrroles for treating inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-24 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-20050043331-A1 Substituted 3-(2,5-disubstituted)pyridyl-4-aryl pyrroles for treating inflammatory diseases TNF, TSLP, IRAK1 MAPK14 240/4885MAPK13 118/4885MAPK12 90/4885

“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.