SCHEMBL6464451

SCHEMBL6464451

Cc1ccc(Cn2c(C)c(C#N)c(-c3ccc(C#N)cc3)c2C)cn1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.80
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KDM1A O60341 1/20 0.39
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 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
SCHEMBL6465291 0.89 AR (1.00) ARCYP11B1CYP11B2CYP19A1
SCHEMBL6466407 0.89 AR (0.75) ARCYP11B1CYP11B2CYP19A1PTGDR2
SCHEMBL6468893 0.89 AR (0.75) ARCYP11B1CYP11B2CYP19A1GRIN1
SCHEMBL6469502 0.89 AR (0.75) ARCYP11B1CYP11B2CYP19A1
SCHEMBL6468889 0.88 AR (0.86) ARCYP11B1CYP11B2CYP19A1CCNC
SCHEMBL6465272 0.85 AR (1.00) ARCYP11B1CYP11B2CYP19A1
SCHEMBL6464529 0.85 AR (0.69) ARCYP11B1CYP11B2CYP19A1PTGDR2
SCHEMBL6889350 0.85 AR (0.69) ARCYP11B1PTGDR2
SCHEMBL6468113 0.85 AR (0.71) ARPTGDR2
SCHEMBL24414502 0.84 AR (0.80) ARCYP11B1CYP11B2CYP19A1KDM1A

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 4 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 claimed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP claimed
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.