SCHEMBL6469801

SCHEMBL6469801

COC(=O)c1ccc(Cn2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2C)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.66
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
EGLN1 Q9GZT9 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
SCHEMBL6889350 0.89 AR (0.69) ARCYP11B1PTGDR2EGLN1
SCHEMBL6468113 0.89 AR (0.71) ARPTGDR2FNTAFNTBEGLN1
SCHEMBL6888241 0.88 AR (0.69) ARPTGDR2EGLN1
SCHEMBL6891066 0.86 AR (0.66) ARCYP11B1PTGDR2FNTAFNTB
SCHEMBL6464451 0.82 AR (0.80) ARCYP11B1CYP11B2PTGDR2GRIN1
SCHEMBL6465983 0.82 AR (0.66) AR
SCHEMBL6466344 0.81 AR (0.69) ARCYP11B1CYP11B2EGLN2FNTA
SCHEMBL6469763 0.80 AR (0.70) ARCYP11B1CYP11B2PTGDR2GRIN1
SCHEMBL6469359 0.80 AR (0.70) ARCYP11B1CYP11B2PTGDR2GRIN1
SCHEMBL6468888 0.80 AR (0.73) ARCYP11B1CYP11B2PTGDR2GRIN1

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.