SCHEMBL6468411

SCHEMBL6468411

CCc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(O)cn1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.48
GRIA2 P42262 4/20 0.43
GRIA4 P48058 4/20 0.43
CYP11B2 P19099 2/20 0.39
DEGS1 O15121 1/20 0.35
USP7 Q93009 2/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL6466490 0.90 AR (0.58) ARGRIA2GRIA4CYP11B2DEGS1
SCHEMBL6464082 0.84 AR (0.47) ARCYP11B2DEGS1MMP3
SCHEMBL14348165 0.78 AR (0.48) ARGRIA2GRIA4CYP11B2
SCHEMBL6464186 0.75 AR (0.81) ARGRIA2GRIA4CYP11B2
SCHEMBL4914410 0.74 AR (0.84) ARGRIA2GRIA4CYP11B2
SCHEMBL24411088 0.72 AR (0.76) ARCYP11B2MMP3
SCHEMBL6466150 0.71 AR (0.69) ARCYP11B2
SCHEMBL4919894 0.71 AR (0.58) ARGRIA2GRIA4
SCHEMBL6468311 0.71 AR (0.61) ARCYP11B2
SCHEMBL4920887 0.70 AR (0.75) ARGRIA2GRIA4CYP11B2

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 6/4885GRIA2 715/4885GRIA4 665/4885

“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.