SCHEMBL6464082

SCHEMBL6464082

Cc1c(-c2ccc(C#N)cc2)c(C#N)c(C(C)C)n1Cc1ccc(O)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.47
DEGS1 O15121 1/20 0.35
RIPK3 Q9Y572 1/20 0.34
MMP3 P08254 1/20 0.34
CYP11B2 P19099 2/20 0.34
CNR2 P34972 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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 0.89 AR (0.58) ARDEGS1RIPK3MMP3CYP11B2
SCHEMBL6468411 0.84 AR (0.48) ARDEGS1MMP3CYP11B2
SCHEMBL6466418 0.76 AR (0.80) ARCYP11B2
SCHEMBL4915218 0.75 AR (0.82) ARCYP11B2FNTAFNTB
SCHEMBL5251476 0.73 AR (0.60) ARFNTAFNTB
SCHEMBL24411088 0.71 AR (0.76) ARMMP3CYP11B2
SCHEMBL4920123 0.71 AR (0.56) ARFNTAFNTB
SCHEMBL6466150 0.71 AR (0.69) ARRIPK3CYP11B2GRIN1GRIN2B
SCHEMBL6468311 0.70 AR (0.61) ARRIPK3CYP11B2GRIN1GRIN2B
SCHEMBL4919002 0.69 AR (0.70) ARCYP11B2FNTAFNTB

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 6/4885DEGS1 4066/4885RIPK3 1877/4885

“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.