SCHEMBL6468113

SCHEMBL6468113

Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1ccc(C(=O)O)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.71
CCR9 P51686 1/20 0.42
GRIA2 P42262 2/20 0.42
GRIA4 P48058 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
EGLN1 Q9GZT9 2/20 0.41
P4HTM Q9NXG6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 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 0.91 AR (0.69) ARCCR9GRIA2GRIA4PTGDR2
SCHEMBL6891066 0.89 AR (0.66) ARCCR9GRIA2GRIA4PTGDR2
SCHEMBL6888241 0.89 AR (0.69) ARPTGDR2EGLN1
SCHEMBL6469801 0.89 AR (0.66) ARPTGDR2EGLN1FNTAFNTB
SCHEMBL6464451 0.85 AR (0.80) ARPTGDR2
SCHEMBL6468062 0.83 AR (1.00) ARGRIA2GRIA4PTGDR2KDM4E
SCHEMBL6465983 0.82 AR (0.66) AR
SCHEMBL6468893 0.82 AR (0.75) ARKDM4EALDH1A1
SCHEMBL6466407 0.82 AR (0.75) ARPTGDR2
SCHEMBL6469502 0.82 AR (0.75) AR

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 6/4885CCR9 645/4885GRIA2 715/4885

“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.