SCHEMBL6464828

SCHEMBL6464828

Cc1c(-c2ccc(C#N)cc2)c(C)n(Cc2cccnc2)c1C#N

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.77
CYP11B2 P19099 5/20 0.46
CASP1 P29466 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP7 P55210 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP19A1 P11511 1/20 0.38
CYP17A1 P05093 1/20 0.38
GNRHR P30968 1/20 0.38
NPY5R Q15761 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL6465272 0.87 AR (1.00) ARCYP11B2CASP1HSD17B10KDM4E
SCHEMBL6464186 0.82 AR (0.81) ARCYP11B2HSD17B10ALDH1A1CYP3A4
SCHEMBL6889299 0.81 AR (0.72) ARCYP11B2PTGDR2
SCHEMBL6466418 0.81 AR (0.80) ARCYP11B2CASP1HSD17B10KDM4E
SCHEMBL6464840 0.80 AR (0.78) ARCYP11B2CYP11B1PTGDR2
SCHEMBL6465363 0.79 AR (0.76) ARCYP11B2CASP1HSD17B10KDM4E
SCHEMBL6464888 0.79 AR (0.77) ARCYP11B2KDM4ECYP11B1PTGDR2
SCHEMBL6469310 0.79 AR (0.69) ARCYP11B2CASP1HSD17B10KDM4E
SCHEMBL6469303 0.78 AR (0.67) AR
SCHEMBL6469333 0.77 AR (0.66) ARALDH1A1PTGDR2

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 6/4885CYP11B2 151/4885CASP1 4628/4885

“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.