SCHEMBL6468098

SCHEMBL6468098

COC(=O)c1c(-c2ccc(C#N)cc2)c(C)n(Cc2ccc(C#N)cn2)c1C

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.69
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
RIPK3 Q9Y572 1/20 0.40
CACNA1H O95180 3/20 0.39
TSHR P16473 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1C Q13936 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL6467003 0.88 AR (0.72) ARTSHRHSP90AA1HSP90B1KDM4E
SCHEMBL6465312 0.84 AR (0.89) ARCYP11B1CYP11B2TSHRKDM4E
SCHEMBL6468830 0.82 AR (0.80) ARCYP11B1CYP11B2RIPK3HSP90AA1
SCHEMBL6468888 0.82 AR (0.73) ARCYP11B1CYP11B2TSHRHSP90AA1
SCHEMBL6469359 0.82 AR (0.70) ARCYP11B1CYP11B2HSP90AA1HSP90B1
SCHEMBL6469763 0.82 AR (0.70) ARCYP11B1CYP11B2TSHRHSP90AA1
SCHEMBL6468911 0.81 AR (1.00) ARTSHR
SCHEMBL6465292 0.81 AR (0.82) ARCYP11B1CYP11B2TSHRHSP90AA1
SCHEMBL6464888 0.81 AR (0.77) ARCYP11B1CYP11B2TSHRKDM4E
SCHEMBL6469532 0.80 AR (0.67) ARCYP11B1CYP11B2EGLN2TSHR

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.