SCHEMBL6466738

SCHEMBL6466738

CCOC(=O)c1c(-c2cccc(C#N)c2)c(C)n(Cc2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 2/20 0.47
AR P10275 4/20 0.45
CNR2 P34972 1/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.38
MDM2 Q00987 1/20 0.38
TDP2 O95551 1/20 0.38

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
SCHEMBL6466466 0.79 KCNK3 (0.46) MAPTKDM4EPKMARCNR2
SCHEMBL6469514 0.78 AR (0.55) MAPTKDM4EPKMARLMNA
SCHEMBL6882430 0.74 AR (0.75) MAPTKDM4EPKMARCNR2
SCHEMBL6465912 0.72 CNR2 (0.50) MAPTKDM4EARCNR2FNTA
SCHEMBL6466411 0.72 AR (0.78) MAPTKDM4EPKMARTDP1
SCHEMBL4910684 0.72 AR (0.52) MAPTARFNTAFNTBTDP1
SCHEMBL6464447 0.71 AR (0.53) MAPTKDM4EPKMARFNTA
SCHEMBL7046828 0.71 AR (0.61) ARLMNATSHRSMN1; SMN2POLB
SCHEMBL4917879 0.71 AR (0.49) MAPTARFNTAFNTBTDP1
SCHEMBL6469615 0.69 AR (0.84) MAPTKDM4EPKMARLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR MAPT 4864/4885KDM4E 1858/4885PKM 3131/4885

“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.