SCHEMBL6218210

SCHEMBL6218210

COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c2n1CCC2C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.57
MAPK14 Q16539 13/20 0.45
MAPK11 Q15759 4/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
ALOX5 P09917 1/20 0.39
GCGR P47871 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL27627752 0.80 MAPK14 (0.45) HTR3AMAPK14MAPK11KCNH2MAPK13
SCHEMBL6219431 0.75 HTR3A (0.63) HTR3AMAPK14MAPK11MAPK13MAPK12
SCHEMBL6219192 0.75 HTR3A (0.63) HTR3AMAPK14MAPK11MAPK13MAPK12
SCHEMBL6371032 0.75 HTR3A (0.63) HTR3AMAPK14MAPK11MAPK13MAPK12
SCHEMBL6218364 0.74 HTR3A (0.81) HTR3AMAPK14MAPK11MAPK13MAPK12
SCHEMBL6219132 0.72 HTR3A (1.00) HTR3AMAPK14MAPK11KCNH2MAPK13
SCHEMBL6375585 0.71 HTR3A (0.55) HTR3AMAPK14MAPK11MAPK13MAPK12
SCHEMBL6245573 0.70 HTR3A (0.74) HTR3AMAPK14MAPK11MAPK13MAPK12
SCHEMBL6370938 0.69 HTR3A (0.56) HTR3AMAPK14MAPK11MAPK13MAPK12
SCHEMBL2529238 0.68 LMNA (0.45) MAPK14MAPK11MAPK13MAPK12ALOX5

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
EP-1549635-A1 3,4-DISUBSTITUTED PYRROLES AND THEIR FOR USE IN TREATING INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-06 EP disclosed
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
WO-2004029040-A1 3,4-DISUBSTITUTED PYRROLES AND THEIR FOR USE IN TREATING INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2004-04-08 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-20050043331-A1 Substituted 3-(2,5-disubstituted)pyridyl-4-aryl pyrroles for treating inflammatory diseases TNF, TSLP, IRAK1 HTR3A 2032/4885MAPK14 240/4885MAPK11 152/4885

“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.