SCHEMBL6370938

SCHEMBL6370938

COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(CCN2CCOCC2)n1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.56
MAPK14 Q16539 8/20 0.45
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
CD274 Q9NZQ7 1/20 0.43
MMP12 P39900 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
HMGCR P04035 1/20 0.39

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
SCHEMBL6369779 0.85 MAPK14 (0.48) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6219428 0.83 MAPK14 (0.48) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6275690 0.83 HTR3A (0.53) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6371003 0.81 HTR3A (0.53) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6219192 0.74 HTR3A (0.63) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6219431 0.74 HTR3A (0.63) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6371032 0.74 HTR3A (0.63) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6218364 0.74 HTR3A (0.81) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6219132 0.72 HTR3A (1.00) HTR3AMAPK14MAPK13MAPK12MAPK11
SCHEMBL6218867 0.72 MAPK14 (0.49) HTR3AMAPK14MAPK13MAPK12MAPK11

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 HTR3A 2032/4885MAPK14 240/4885MAPK13 118/4885

“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.