SCHEMBL6469313

SCHEMBL6469313

COC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(C(N)=O)cc2)c1C

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.77
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 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) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL6469732 0.91 AR (0.82) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL6469628 0.89 AR (0.76) ARCYP11B1CYP11B2KLKB1KLK1
SCHEMBL6465292 0.88 AR (0.82) ARCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL6469536 0.88 AR (0.74) ARCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL6468792 0.87 AR (0.80) ARCYP11B1CYP11B2KDM4EMAPT
SCHEMBL6466721 0.87 AR (0.80) ARCYP11B1CYP11B2KDM4ELMNA
SCHEMBL6468911 0.87 AR (1.00) ARLMNAMAPTTDP1
SCHEMBL6468830 0.85 AR (0.80) ARCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL6469782 0.83 AR (0.74) ARCYP11B1CYP11B2KLKB1KLK1

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.