SCHEMBL6468830

SCHEMBL6468830

COC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccncc2)c1C

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.80
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
RIPK3 Q9Y572 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 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
SCHEMBL6465312 0.92 AR (0.89) ARCYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL6468911 0.89 AR (1.00) AR
SCHEMBL6465292 0.88 AR (0.82) ARCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL6464888 0.88 AR (0.77) ARCYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL6466721 0.87 AR (0.80) ARCYP11B1CYP11B2RIPK3KDM4E
SCHEMBL6468792 0.87 AR (0.80) ARCYP11B1CYP11B2KDM4EMEN1
SCHEMBL6469318 0.87 AR (0.70) ARCYP11B1CYP11B2PTGDR2HSP90AA1
SCHEMBL6469732 0.86 AR (0.82) ARCYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL6469313 0.85 AR (0.77) ARCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL6468888 0.85 AR (0.73) ARCYP11B1CYP11B2PTGDR2HSP90AA1

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 AR 6/4885CYP11B1 145/4885CYP11B2 151/4885

“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.